data_1wis_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 1wis _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 ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 147.53 33.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.474 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.03 164.98 32.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.812 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.411 ' N ' HG23 ' A' ' 102' ' ' VAL . 57.8 mt-10 -117.18 173.6 6.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.253 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.485 HD22 ' CA ' ' A' ' 103' ' ' GLY . 11.3 mt -78.23 154.63 79.68 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -161.97 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.23 171.01 20.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.538 1.149 . . . . 0.0 111.035 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 117.52 4.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 141.81 27.17 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.498 1.789 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.2 p -120.22 -166.34 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.2 t30 66.64 30.29 8.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.46 138.06 42.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.54 154.51 25.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.473 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 6.4 mm -118.54 105.42 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.773 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.3 t -130.56 172.68 11.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 48.04 44.03 18.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.454 ' CD1' HG23 ' A' ' 26' ' ' ILE . 43.3 mt -70.25 106.49 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.377 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.39 -155.07 31.34 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.421 1.076 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -127.44 22.97 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.6 138.02 17.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.484 HG11 ' CD1' ' A' ' 86' ' ' LEU . 1.3 m -146.83 156.27 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 m -98.11 119.31 36.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.436 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' HG ' ' CD1' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -105.92 114.77 29.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -89.98 158.4 17.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.405 ' CZ ' ' O ' ' A' ' 78' ' ' ALA . 52.7 p90 -172.29 179.1 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.82 133.4 10.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.3 2.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.7 -77.92 0.35 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -122.57 106.51 11.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 0.757 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.44 -51.74 68.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.15 48.67 0.81 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt 53.67 32.01 13.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -174.16 137.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.411 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.3 p -63.89 164.79 9.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.49 HG13 ' CH2' ' A' ' 51' ' ' TRP . 5.0 mm -81.75 141.96 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.37 -29.38 15.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.946 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.457 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -170.62 141.91 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.49 ' CH2' HG13 ' A' ' 48' ' ' ILE . 8.2 m95 -100.65 139.06 36.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 107.966 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.466 ' HG ' ' CD1' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -107.8 129.53 55.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.2 t -122.38 105.0 15.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -97.97 172.01 7.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -164.35 158.01 18.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.439 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -115.7 162.08 17.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 59.8 t -98.74 134.28 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 57' ' ' VAL . . . 36.23 -96.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 57' ' ' VAL . 1.5 p -45.47 118.87 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.3 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.439 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 7.6 m95 -116.71 120.18 37.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 107.968 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.2 mt -110.2 157.75 19.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.466 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 1.2 tp -73.05 150.4 42.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.425 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.8 pt -136.06 -44.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.45 ' NE2' ' O ' ' A' ' 82' ' ' GLU . 79.5 t60 -131.73 140.0 49.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.592 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -147.44 126.45 12.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.9 tp -103.84 109.17 20.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.81 145.77 27.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.0 t30 55.24 74.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 176.11 65.23 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.32 9.83 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.67 49.49 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.405 ' O ' ' CZ ' ' A' ' 38' ' ' PHE . . . -127.79 95.79 4.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.1 -34.89 77.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.1 t -143.47 169.01 18.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.953 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.8 ptp -162.94 160.32 24.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.961 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.45 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 20.1 tt0 -87.18 143.42 27.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.3 t -114.23 93.68 31.97 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -172.56 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 48.78 67.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.484 ' CD1' HG11 ' A' ' 34' ' ' VAL . 39.8 mt -119.5 150.43 40.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -87.49 115.78 63.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 155.09 42.73 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.3 t80 48.83 41.48 18.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.7 m -147.59 135.08 20.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 57.3 m -75.14 116.0 15.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 57' ' ' VAL . 3.1 m-85 -135.81 161.83 34.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 15.4 t -119.52 173.37 7.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.031 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.465 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 86.5 m-85 -153.88 144.59 22.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.404 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -133.23 -169.04 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.354 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 14.6 mmm -140.57 160.03 40.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.404 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 33.5 mtt180 -157.59 149.46 22.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -114.76 140.64 48.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.476 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 21.5 t -130.41 128.11 63.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -135.57 179.55 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -55.93 -17.62 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.447 1.092 . . . . 0.0 109.234 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.483 ' CG1' HD21 ' A' ' 17' ' ' LEU . 93.1 t -78.56 -71.44 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.485 ' CA ' HD22 ' A' ' 17' ' ' LEU . . . -175.73 -165.39 31.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.476 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -105.94 125.35 50.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.388 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.41 ' CB ' ' CD ' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -69.42 172.95 4.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.002 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 105' ' ' SER . 18.4 Cg_endo -74.99 173.83 13.83 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.402 ' HB2' ' NH1' ' A' ' 95' ' ' ARG . 18.4 Cg_endo -75.01 139.47 24.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 t -94.27 157.09 16.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.13 132.99 1.93 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 155.83 43.15 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.412 ' HB2' ' CG1' ' A' ' 26' ' ' ILE . 14.2 p -79.08 164.87 23.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.98 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -61.85 163.31 7.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -74.21 134.75 42.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 pp -133.96 178.39 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -129.89 118.15 21.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 23.5 p -73.73 143.44 46.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 60.2 mt -60.67 171.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.289 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 147.78 34.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.468 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.4 Cg_endo -74.98 164.22 33.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.472 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 55.0 mt-10 -123.52 175.0 7.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.488 HD23 ' CA ' ' A' ' 103' ' ' GLY . 8.1 mt -79.46 150.94 74.27 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -161.49 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.52 169.66 22.24 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.138 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 117.93 5.08 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.547 1.814 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.5 20.5 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.9 p -109.96 -165.77 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.443 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 61.62 31.45 18.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.52 123.84 22.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.57 160.67 23.19 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.517 ' CG2' ' CD1' ' A' ' 29' ' ' ILE . 3.2 mm -132.12 110.83 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.68 169.43 17.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 52.77 52.2 14.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.517 ' CD1' ' CG2' ' A' ' 26' ' ' ILE . 11.7 mm -74.71 99.57 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.51 -163.3 34.62 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -53.52 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.555 1.818 . . . . 0.0 111.026 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -128.65 18.18 6.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.35 135.95 16.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.469 HG13 ' CD1' ' A' ' 86' ' ' LEU . 2.1 m -142.63 154.77 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.2 m -93.54 134.58 35.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.454 ' HG ' ' CD1' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -118.61 121.25 39.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -105.4 141.43 36.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.579 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 3.2 p90 -158.47 -170.92 3.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -150.54 131.66 7.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 100.01 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.45 -74.34 0.36 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -125.91 100.18 6.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.02 -42.05 62.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.07 31.18 4.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.137 . . . . 0.0 110.976 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt 65.46 32.32 9.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 109.323 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.4 t -174.38 123.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.374 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 p -49.32 155.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.562 HG13 ' CH2' ' A' ' 51' ' ' TRP . 8.0 mm -74.77 139.6 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.11 -32.78 18.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -165.2 137.4 4.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.562 ' CH2' HG13 ' A' ' 48' ' ' ILE . 18.4 m95 -98.48 125.36 43.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 108.024 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.478 ' CD1' HD13 ' A' ' 68' ' ' LEU . 3.6 tp -96.81 144.78 26.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.7 t -134.55 106.11 7.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -101.07 160.14 14.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -157.07 160.16 38.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.503 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -120.1 138.7 53.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.503 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 32.6 t -76.68 134.6 28.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 57' ' ' VAL . . . 36.98 -96.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 57' ' ' VAL . 9.9 p -41.81 122.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 97.2 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.592 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 5.8 m95 -114.48 134.69 54.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 108.019 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.5 mt -118.17 161.07 20.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.478 HD13 ' CD1' ' A' ' 52' ' ' LEU . 2.9 tp -77.65 153.72 32.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.418 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 4.5 pt -135.09 -45.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.416 ' N ' HG13 ' A' ' 69' ' ' ILE . 68.3 t60 -133.8 134.67 43.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.622 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -137.62 122.74 19.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.7 tp -103.98 113.17 26.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -100.68 160.84 14.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 73' ' ' SER . 0.8 OUTLIER 38.35 81.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.44 66.01 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.86 8.39 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -115.17 49.38 1.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -128.51 88.03 2.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.471 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 17.4 mmm-85 -61.85 -30.59 70.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.5 p -143.45 167.55 21.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.3 ptp -166.55 160.48 15.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -85.43 141.74 29.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.6 t -114.05 93.66 31.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.413 ' HD2' ' ND1' ' A' ' 70' ' ' HIS . 18.3 Cg_endo -75.03 -173.5 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.554 1.818 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 t0 50.25 67.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.469 ' CD1' HG13 ' A' ' 34' ' ' VAL . 45.3 mt -122.38 146.82 46.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.563 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 3.1 m-80 -86.19 117.9 69.48 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 154.68 42.61 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 t80 48.34 42.96 18.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 110.98 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 94.8 m -147.35 137.78 23.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 61.5 m -74.67 117.83 16.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 87' ' ' ASN . 1.2 m-85 -136.25 157.42 46.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 4.1 t -119.28 172.95 7.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.425 ' CB ' HD13 ' A' ' 36' ' ' LEU . 52.5 m-85 -156.62 141.26 16.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.592 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 8.7 ptp180 -126.72 -167.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.579 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -136.73 163.14 31.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -166.39 143.59 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -114.3 149.91 35.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.427 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 18.9 t -135.82 126.47 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 38.2 p30 -132.17 179.78 5.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -56.3 -17.95 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.476 ' CG1' HD22 ' A' ' 17' ' ' LEU . 93.3 t -80.86 -75.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.488 ' CA ' HD23 ' A' ' 17' ' ' LEU . . . -168.03 -152.45 7.59 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.427 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -118.9 125.99 50.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 0.0 110.406 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.35 172.18 0.64 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 169.35 22.77 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.407 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.0 Cg_endo -75.02 136.56 20.51 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.449 ' OG ' ' N ' ' A' ' 109' ' ' GLN . 3.7 t -93.91 178.11 5.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.449 ' N ' ' OG ' ' A' ' 108' ' ' SER . 0.6 OUTLIER -73.82 148.31 87.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 152.64 40.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.803 . . . . 0.0 111.04 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.2 p -81.15 154.39 26.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.046 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -38.63 145.3 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 137.5 58.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.476 HG21 ' CG2' ' A' ' 26' ' ' ILE . 2.7 pp -127.45 -174.95 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.416 ' N ' HD13 ' A' ' 114' ' ' ILE . 16.6 tt0 -145.08 108.28 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.0 p -60.78 152.05 28.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.422 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 58.4 mt -66.72 179.19 1.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.78 34.38 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 110.968 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.461 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -75.08 158.75 41.72 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -111.51 -177.51 3.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.473 HD21 ' CG1' ' A' ' 102' ' ' VAL . 6.9 mt -85.52 152.35 57.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -165.39 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.45 169.41 23.77 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.16 5.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 155.15 42.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.7 p -124.67 -166.93 1.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 60.8 30.52 19.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.76 130.01 41.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.27 146.47 12.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 mp -115.89 129.91 71.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.0 p -129.86 164.41 24.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 50.62 51.67 16.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.38 107.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.01 -171.35 47.75 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -48.1 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.431 1.753 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -128.61 13.82 6.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.402 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -152.82 147.41 26.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 86' ' ' LEU . 1.1 m -148.83 162.68 5.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.245 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.6 m -100.21 110.28 22.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 94' ' ' PHE . 2.9 tt -94.98 111.33 23.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -94.03 156.4 16.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.09 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.586 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 23.0 p90 -169.74 -171.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -157.99 134.64 6.51 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 112.44 3.56 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.45 -70.76 1.22 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -125.39 89.44 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 111.04 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -48.62 -53.44 18.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.25 44.03 0.88 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt 56.68 34.71 25.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -173.86 139.55 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.396 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -68.17 162.61 24.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.569 HG13 ' CH2' ' A' ' 51' ' ' TRP . 6.3 mm -81.58 137.12 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 m -87.64 -29.5 21.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 1.2 tmm_? -165.85 136.71 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CH2' HG13 ' A' ' 48' ' ' ILE . 24.9 m95 -97.76 132.19 43.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.479 ' CD1' HD12 ' A' ' 68' ' ' LEU . 2.9 tp -102.28 144.14 31.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.6 t -135.06 105.93 6.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -102.37 162.43 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.531 ' HA ' ' CZ3' ' A' ' 66' ' ' TRP . . . -159.85 165.1 32.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -125.14 143.24 51.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.449 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 42.9 t -79.07 130.25 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' VAL . . . 36.57 -97.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' VAL . 99.5 t -42.95 97.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 0.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' GLY . 50.6 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.588 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 11.6 m95 -112.6 119.93 39.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 mt -109.18 157.51 18.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.479 HD12 ' CD1' ' A' ' 52' ' ' LEU . 2.4 tp -75.15 146.78 41.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 70' ' ' HIS . 4.3 pt -126.93 -43.47 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.523 ' CE1' ' HD2' ' A' ' 84' ' ' PRO . 12.3 t60 -139.06 137.77 36.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.58 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.427 ' OE1' ' NH2' ' A' ' 50' ' ' ARG . 21.1 pt20 -140.43 128.01 21.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 48.2 tp -103.8 130.49 51.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.0 m -121.19 140.59 51.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.435 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 35.1 t30 64.79 78.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.1 OUTLIER 165.3 69.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.72 20.05 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -81.9 -29.46 32.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.53 115.31 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.413 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 1.5 mpp_? -91.78 -27.44 18.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.466 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 3.5 m -143.25 162.17 36.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.964 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.508 ' HE3' ' CZ ' ' A' ' 38' ' ' PHE . 2.0 ptt? -162.7 157.61 21.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -85.09 140.02 31.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.4 t -113.89 94.4 33.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.523 ' HD2' ' CE1' ' A' ' 70' ' ' HIS . 18.2 Cg_endo -75.01 -169.05 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.446 1.761 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 51.04 69.37 0.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.459 ' CD1' HG11 ' A' ' 34' ' ' VAL . 63.9 mt -127.54 149.49 50.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -87.04 117.77 69.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 150.84 38.71 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.8 t80 55.41 41.61 30.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 87.6 m -147.57 138.07 23.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 55.2 m -75.28 125.68 29.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.289 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.449 ' CZ ' ' HA ' ' A' ' 57' ' ' VAL . 2.6 m-85 -143.38 158.81 43.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 1.7 t -119.5 174.05 6.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.456 ' CD1' ' O ' ' A' ' 93' ' ' SER . 49.8 m-85 -157.1 141.26 16.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.588 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 5.4 ptp180 -126.52 -167.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.586 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -138.5 163.07 32.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -165.89 148.67 7.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -118.58 143.25 46.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.2 t -127.44 124.84 64.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 103' ' ' GLY . 45.1 p-10 -133.09 161.85 33.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.408 ' O ' HG13 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -40.53 -33.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.473 ' CG1' HD21 ' A' ' 17' ' ' LEU . 29.2 t -65.58 -74.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.403 ' O ' ' OD1' ' A' ' 100' ' ' ASN . . . -163.49 -143.1 3.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.78 132.57 43.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 110.392 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.81 169.1 2.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 168.21 25.32 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 133.42 16.55 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.0 t -94.41 165.83 12.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.949 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -59.78 157.11 30.57 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 158.62 41.8 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.5 1.79 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.2 p -82.67 167.12 18.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.023 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -52.17 143.52 14.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 124.1 19.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.4 pp -122.78 176.23 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -140.39 109.0 5.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.32 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.9 p -58.21 158.55 6.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.464 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 63.8 mt -76.54 -172.81 2.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.449 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 40.4 t . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.449 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.04 147.58 33.98 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.507 1.793 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.492 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.0 168.71 24.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.459 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 44.0 mt-10 -130.5 173.86 10.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.49 HD22 ' CA ' ' A' ' 103' ' ' GLY . 9.0 mt -76.79 151.78 82.51 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -161.16 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.52 165.81 23.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 118.61 5.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.75 35.71 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.546 1.814 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.1 p -120.55 -166.05 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 m120 61.9 30.55 18.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.03 129.07 37.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.03 152.47 23.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mm -104.04 132.42 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.1 m -138.21 164.58 28.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.964 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 41.08 59.1 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.0 mt -70.12 100.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.37 -166.93 37.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.449 1.763 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -123.6 3.7 8.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.94 144.47 35.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.414 HG12 ' CD1' ' A' ' 86' ' ' LEU . 1.5 m -144.5 175.55 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.4 m -113.98 123.56 50.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.384 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.409 HD12 ' CB ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -107.25 121.21 44.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.363 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -104.51 148.58 26.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.475 ' CG ' ' SD ' ' A' ' 96' ' ' MET . 4.2 p90 -167.07 -171.51 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -151.03 129.42 6.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 103.7 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.788 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.79 -78.05 0.16 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.499 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 22.1 t80 -123.34 107.98 12.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.48 -46.16 89.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.499 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 108.92 26.84 5.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.441 1.088 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt 65.34 34.6 8.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.6 t -169.81 115.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.4 m -46.05 149.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.568 HG13 ' CH2' ' A' ' 51' ' ' TRP . 6.3 mm -71.65 137.87 22.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.65 -33.16 25.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.525 ' NE ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -167.82 139.88 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.568 ' CH2' HG13 ' A' ' 48' ' ' ILE . 29.0 m95 -97.44 129.08 44.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 107.991 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.525 ' CD1' ' NE ' ' A' ' 50' ' ' ARG . 2.5 tp -98.69 145.03 27.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 70' ' ' HIS . 12.6 t -137.49 105.58 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.407 ' OE1' ' NH2' ' A' ' 97' ' ' ARG . 56.9 mt-10 -98.26 171.07 8.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -166.5 164.04 17.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.6 ' O ' ' CD2' ' A' ' 92' ' ' TYR . 4.7 mt-30 -122.82 161.61 23.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.5 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 45.6 t -98.68 129.67 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' VAL . . . 37.15 -98.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 57' ' ' VAL . 79.2 t -42.98 107.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 2.2 pt-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.439 ' CZ3' ' HA ' ' A' ' 55' ' ' ALA . 24.1 m95 -123.56 107.45 11.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.019 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.8 mt -112.0 161.54 16.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.244 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.476 HD12 ' CD1' ' A' ' 52' ' ' LEU . 1.8 tp -74.05 151.6 40.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.417 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 3.7 pt -134.7 -44.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CE1' ' HD2' ' A' ' 84' ' ' PRO . 12.0 t60 -136.24 141.8 43.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.643 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -144.47 134.93 24.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.285 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.1 tp -106.57 112.85 26.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.96 149.67 22.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 110.034 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 45.78 84.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 170.31 66.35 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -1.11 10.79 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -115.39 52.04 0.9 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.53 94.13 3.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.15 -29.86 68.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.9 p -143.38 161.46 38.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.7 ptp -160.92 157.15 26.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -84.85 138.09 32.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.9 t -114.24 93.49 31.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.572 ' HD2' ' CE1' ' A' ' 70' ' ' HIS . 18.3 Cg_endo -74.99 -162.8 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 40.6 73.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.414 ' CD1' HG12 ' A' ' 34' ' ' VAL . 59.6 mt -126.57 155.33 42.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -87.17 119.43 70.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 159.36 41.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CD1' ' HG2' ' A' ' 118' ' ' GLN . 0.2 OUTLIER 38.91 44.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.3 m -146.1 134.01 21.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.43 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 59.6 m -74.59 115.83 14.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 108.297 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 56' ' ' GLN . 2.2 m-85 -134.77 156.5 48.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 2.2 t -119.39 166.93 12.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.441 ' CD1' ' HB3' ' A' ' 55' ' ' ALA . 48.8 m-85 -150.6 147.64 27.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -130.53 -170.46 2.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.475 ' SD ' ' CG ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -132.33 163.03 29.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.407 ' NH2' ' OE1' ' A' ' 54' ' ' GLU . 7.5 mtt180 -168.57 144.77 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.438 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 61.6 mt-30 -114.37 149.56 35.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.468 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 53.6 t -136.39 128.23 44.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 25.9 p-10 -135.41 -179.51 5.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.22 -15.49 5.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.492 ' CG2' ' HB2' ' A' ' 15' ' ' PRO . 93.4 t -79.49 -76.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.49 ' CA ' HD22 ' A' ' 17' ' ' LEU . . . -166.19 -161.91 16.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.468 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -114.36 111.75 21.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.375 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.74 169.07 0.43 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.947 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.07 13.4 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.487 1.783 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 137.37 21.56 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.8 t -94.18 163.32 13.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.86 129.76 11.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 159.01 41.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.3 p -77.11 164.63 25.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -63.64 165.64 7.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.35 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.81 119.93 16.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.3 pp -119.89 166.62 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.6 122.69 40.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 53.1 p -80.9 153.83 27.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.6 mt -67.09 177.85 1.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.404 ' HG2' ' CD1' ' A' ' 89' ' ' PHE . 1.8 mm-40 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 147.69 34.05 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.497 1.788 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.455 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.1 Cg_endo -75.02 158.14 42.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.466 1.771 . . . . 0.0 110.956 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -112.85 179.32 4.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.48 HD21 ' CG1' ' A' ' 102' ' ' VAL . 8.1 mt -80.52 152.61 73.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.475 ' CG ' ' HB3' ' A' ' 98' ' ' GLN . 18.3 Cg_endo -75.02 -161.63 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.52 168.29 21.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 120.51 6.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.457 1.767 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 145.11 31.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.532 1.806 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.2 p -121.6 -165.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.389 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 61.75 31.55 18.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.74 133.55 41.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -148.86 156.28 26.76 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.466 HG23 ' CG1' ' A' ' 29' ' ' ILE . 4.7 mm -117.25 106.31 19.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.5 m -122.52 172.88 8.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 46.06 43.68 10.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.466 ' CG1' HG23 ' A' ' 26' ' ' ILE . 20.5 mt -61.99 101.76 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.5 -165.25 41.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -53.63 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.6 mtm180 -128.65 15.87 6.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.07 136.86 20.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.475 HG12 ' CD1' ' A' ' 86' ' ' LEU . 1.8 m -142.95 157.46 17.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.9 m -100.59 119.94 39.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.453 ' HG ' ' CD1' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -103.41 114.53 28.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -97.56 161.77 13.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.474 ' CE2' ' HE2' ' A' ' 96' ' ' MET . 33.8 p90 -179.73 -171.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -148.04 134.56 9.99 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.65 3.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.466 1.771 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.41 -73.65 0.71 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -128.64 113.25 15.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -64.14 -49.97 70.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.89 32.96 2.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.11 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt 60.79 37.25 18.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.274 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 t -172.12 127.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.8 p -52.89 146.08 11.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.505 HG13 ' CH2' ' A' ' 51' ' ' TRP . 6.6 mm -66.47 150.95 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.5 m -100.29 -38.53 8.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.477 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -169.5 141.0 2.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.549 ' CZ3' ' HG3' ' A' ' 98' ' ' GLN . 7.7 m95 -96.77 144.0 27.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.477 ' CD1' ' HD3' ' A' ' 50' ' ' ARG . 0.6 OUTLIER -111.74 130.29 55.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.11 108.21 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -100.58 172.91 6.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -167.94 157.28 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 59' ' ' VAL . 1.2 mt-30 -119.42 147.44 44.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 38.8 t -85.76 130.41 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 60' ' ' VAL . . . 36.4 -98.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 57' ' ' VAL . 5.4 p -46.83 96.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 58' ' ' GLY . 3.2 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.594 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 8.7 m95 -109.93 118.02 35.34 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -100.77 153.23 19.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.459 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 6.5 tp -75.79 152.24 37.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.432 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.2 pt -137.93 -46.95 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.463 ' NE2' ' O ' ' A' ' 82' ' ' GLU . 78.2 t60 -129.01 149.03 51.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.624 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -154.82 125.28 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.8 tp -103.48 116.37 32.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.19 135.17 47.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 69.27 88.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 169.59 71.02 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.92 8.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.506 1.793 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -125.0 35.95 4.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -107.37 94.02 4.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -30.86 70.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 64.7 p -143.8 171.07 14.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 110.033 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.8 ptp -164.98 155.32 13.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.463 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 20.3 tt0 -83.01 137.81 33.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.461 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 6.2 t -113.51 93.86 29.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -169.15 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.1 t70 45.58 73.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.475 ' CD1' HG12 ' A' ' 34' ' ' VAL . 68.8 mt -129.22 144.5 51.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -86.39 116.1 64.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.488 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -74.95 153.86 42.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.9 t80 54.28 40.27 31.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.3 m -146.8 135.41 22.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.364 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 58.0 m -74.12 114.57 12.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 108.277 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 57' ' ' VAL . 2.6 m-85 -133.81 159.81 39.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.522 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 3.9 t -119.26 165.38 14.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.959 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -150.82 140.53 21.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.594 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 5.9 ptp180 -128.65 -168.06 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.474 ' HE2' ' CE2' ' A' ' 38' ' ' PHE . 12.1 mmm -141.68 157.61 44.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 53.1 mtt180 -150.58 157.93 43.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.549 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -123.28 134.69 54.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.492 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 40.3 t -127.74 130.65 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.4 p30 -135.78 -179.26 5.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -15.83 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.48 ' CG1' HD21 ' A' ' 17' ' ' LEU . 63.3 t -83.3 -78.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.476 ' CA ' HD22 ' A' ' 17' ' ' LEU . . . -160.88 -150.44 5.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.492 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -121.51 133.39 55.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.759 . . . . 0.0 110.392 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.401 ' CB ' ' CD ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -72.09 172.99 6.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.04 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 105' ' ' SER . 18.3 Cg_endo -75.02 173.68 14.09 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.812 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.422 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -75.0 137.47 21.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.2 t -94.2 150.76 20.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.032 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -39.47 135.3 1.18 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 157.99 42.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.3 p -82.95 145.64 29.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.002 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -44.01 161.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.01 121.95 16.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.135 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.2 pp -115.63 173.44 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.72 112.89 12.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 19.4 p -69.7 151.35 45.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.434 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 30.5 mt -64.68 175.06 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.142 . . . . 0.0 110.315 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.439 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 21.8 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.439 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.98 147.53 34.12 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.488 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.6 Cg_endo -74.94 163.02 36.27 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' CG2' ' A' ' 102' ' ' VAL . 47.4 mt-10 -114.92 174.86 5.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.496 HD21 ' CG1' ' A' ' 102' ' ' VAL . 10.8 mt -76.31 152.62 83.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.472 ' CD ' HD23 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -74.98 -170.29 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.43 163.53 20.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 122.67 7.33 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.9 22.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.54 1.81 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 p -108.42 -167.68 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.458 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 m120 61.88 35.56 16.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.38 137.91 40.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.09 144.34 10.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.459 HD12 ' CD2' ' A' ' 36' ' ' LEU . 4.8 mm -105.19 114.8 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.6 p -125.3 172.28 9.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 41.47 57.01 3.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.8 mt -71.19 101.79 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.08 -166.1 35.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.445 1.091 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -49.21 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.789 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.21 16.99 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.443 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -152.83 150.01 28.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.48 HG13 ' CD1' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -151.6 171.19 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.1 m -109.46 124.29 50.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.459 ' CD2' HD12 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -105.49 126.56 52.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -110.67 159.86 17.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.541 ' CD1' ' O ' ' A' ' 79' ' ' ARG . 35.0 p90 179.68 -172.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.9 mtt85 -145.13 134.11 11.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.354 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 106.11 2.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.77 -87.67 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.573 1.171 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -111.98 104.38 12.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.82 -55.76 23.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 113.03 47.99 0.63 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt 48.09 29.17 1.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 0.732 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.43 ' CG2' ' HB2' ' A' ' 100' ' ' ASN . 0.7 OUTLIER -168.79 128.3 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.8 m -55.67 163.51 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.57 HG13 ' CH2' ' A' ' 51' ' ' TRP . 19.5 mm -84.82 143.52 11.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.09 -37.99 11.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.48 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 3.8 tmm_? -166.36 137.22 3.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CH2' HG13 ' A' ' 48' ' ' ILE . 3.6 m95 -94.01 145.65 24.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 107.981 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.48 ' CD1' ' HD3' ' A' ' 50' ' ' ARG . 1.2 tp -109.29 129.15 55.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.8 t -121.44 105.81 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.498 ' OE2' ' CZ ' ' A' ' 97' ' ' ARG . 23.0 mt-10 -99.39 176.83 5.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.415 ' HB1' ' CD1' ' A' ' 94' ' ' PHE . . . -168.5 156.8 8.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.552 ' O ' ' CD2' ' A' ' 92' ' ' TYR . 2.0 mt-30 -117.97 153.55 33.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.544 ' HA ' ' CE2' ' A' ' 92' ' ' TYR . 47.2 t -89.09 128.11 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 36.95 -95.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' VAL . 53.8 t -42.05 102.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.793 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.9 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -114.34 102.39 10.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 108.021 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.5 mt -94.65 154.91 17.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.242 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.459 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 12.1 tp -75.2 155.63 36.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.419 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 2.7 pt -134.75 -47.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 82' ' ' GLU . 41.5 t60 -130.26 142.69 50.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.607 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.408 ' OE1' ' CD2' ' A' ' 68' ' ' LEU . 15.6 pt20 -147.7 125.17 11.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.1 tp -104.55 118.94 37.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.39 139.32 44.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.3 t30 71.61 71.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.01 68.56 0.21 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 1.09 8.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.53 30.29 6.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -104.7 108.4 19.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.541 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -82.93 -29.05 29.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.8 p -143.24 170.36 15.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.7 ptp -167.42 157.81 11.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 14.2 tt0 -86.08 140.37 30.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.415 HG12 ' CD1' ' A' ' 69' ' ' ILE . 4.8 t -118.27 93.13 44.51 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -164.07 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 44.62 68.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.48 ' CD1' HG13 ' A' ' 34' ' ' VAL . 21.5 mt -119.87 161.13 21.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.465 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 4.8 m-80 -94.88 112.16 57.13 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 144.34 30.29 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.5 t80 60.77 36.08 19.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.8 m -146.89 138.58 24.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.421 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 56.6 m -74.68 132.74 41.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 108.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.552 ' CD2' ' O ' ' A' ' 56' ' ' GLN . 5.1 m-85 -151.08 161.47 42.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 27.4 p -119.49 173.63 6.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.415 ' CD1' ' HB1' ' A' ' 55' ' ' ALA . 69.1 m-85 -156.86 137.67 13.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.5 -170.6 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.534 ' HE2' ' CE2' ' A' ' 38' ' ' PHE . 11.3 mmm -140.71 160.07 40.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.498 ' CZ ' ' OE2' ' A' ' 54' ' ' GLU . 72.3 mtt180 -154.72 167.67 29.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.443 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 77.7 mt-30 -131.82 133.95 45.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.496 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 60.0 t -123.78 126.97 73.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.43 ' HB2' ' CG2' ' A' ' 46' ' ' THR . 37.2 p30 -135.58 -179.98 5.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.44 -15.87 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.496 ' CG1' HD21 ' A' ' 17' ' ' LEU . 22.0 t -80.59 -67.95 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.423 ' N ' HD21 ' A' ' 17' ' ' LEU . . . -170.43 -143.14 3.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.496 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.8 OUTLIER -125.27 143.42 50.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 110.436 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.0 p -76.71 159.13 79.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 174.39 12.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.803 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 129.86 12.69 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 t -93.5 168.76 10.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.15 136.03 39.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.48 39.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.5 p -77.44 146.12 36.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.048 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -44.94 152.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 136.12 56.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 pp -132.73 -179.36 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.2 121.23 23.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 41.6 p -75.36 148.67 39.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.424 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.6 mt -69.8 173.6 6.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 147.68 34.21 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.488 1.783 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.458 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.0 154.6 42.6 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.444 1.76 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 42.8 mt-10 -109.3 -176.24 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.494 HD23 ' CG1' ' A' ' 102' ' ' VAL . 8.6 mt -85.93 154.3 58.02 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -165.27 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.14 163.92 22.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.548 1.155 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.85 6.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 135.14 18.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.8 p -114.36 -166.3 1.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 60.99 29.19 18.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.47 134.29 48.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.99 145.9 14.5 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.477 HG21 ' CG1' ' A' ' 29' ' ' ILE . 4.8 mm -104.25 115.66 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.754 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.5 m -125.23 172.7 9.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 40.29 51.81 2.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.477 ' CG1' HG21 ' A' ' 26' ' ' ILE . 11.3 mt -68.37 100.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -84.96 -168.9 45.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -50.11 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -125.88 8.94 7.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.5 p -146.54 145.19 30.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.453 HG11 ' CD1' ' A' ' 86' ' ' LEU . 1.9 m -146.48 160.69 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.2 m -102.17 115.6 30.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.442 HD23 ' CD1' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -100.88 118.59 37.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -104.09 139.67 38.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.54 ' CE2' ' HE3' ' A' ' 96' ' ' MET . 28.3 p90 -151.4 -175.91 5.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -149.73 133.23 8.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 114.3 3.99 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.62 -73.03 0.81 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.125 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.499 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 13.5 t80 -124.6 97.03 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -46.53 -49.56 18.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.499 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 105.86 40.55 1.98 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt 55.94 30.1 15.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.786 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -170.89 133.6 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -59.98 160.29 8.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.513 HG13 ' CH2' ' A' ' 51' ' ' TRP . 7.2 mm -79.39 146.1 8.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.411 ' N ' HG21 ' A' ' 48' ' ' ILE . 0.5 OUTLIER -93.27 -35.83 12.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.444 ' CD ' HD11 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -164.91 145.67 7.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.513 ' CH2' HG13 ' A' ' 48' ' ' ILE . 24.4 m95 -102.13 135.51 43.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 107.978 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -106.83 134.23 50.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.7 t -123.56 114.43 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -110.35 160.75 16.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -154.94 164.48 38.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.54 135.16 50.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.505 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 28.4 t -71.7 135.61 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.45 ' O ' ' CG2' ' A' ' 60' ' ' VAL . . . 36.94 -95.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' VAL . 76.5 t -40.1 127.29 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 93.6 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.559 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 19.8 m95 -103.18 118.33 36.55 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.7 mt -107.38 156.57 18.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 8.5 tp -75.56 152.68 37.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.453 HD11 ' CB ' ' A' ' 55' ' ' ALA . 8.6 pt -135.88 -48.27 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.536 ' CE1' ' HD2' ' A' ' 84' ' ' PRO . 14.2 t60 -136.26 157.79 45.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -148.82 160.64 43.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.417 HD23 ' CD1' ' A' ' 51' ' ' TRP . 24.5 tp -134.96 106.39 6.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.56 147.1 25.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 0.3 OUTLIER 52.48 87.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER 165.98 70.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -26.22 11.16 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.77 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -77.04 -37.19 55.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -41.1 127.23 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.21 -23.67 11.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.8 p -143.14 159.5 42.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.017 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.402 ' HE1' ' CE1' ' A' ' 38' ' ' PHE . 5.8 ptp -156.01 159.14 38.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -93.28 138.18 31.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.6 t -113.96 93.84 31.4 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.536 ' HD2' ' CE1' ' A' ' 70' ' ' HIS . 18.3 Cg_endo -75.0 -165.78 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.464 1.77 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 42.61 75.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.453 ' CD1' HG11 ' A' ' 34' ' ' VAL . 62.3 mt -129.34 148.79 51.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -87.33 113.63 54.83 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.428 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -75.02 157.18 42.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.521 1.801 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.0 t80 53.57 40.08 30.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 90.4 m -147.74 137.76 22.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.441 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 60.7 m -74.84 115.29 14.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 108.308 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.505 ' CZ ' ' HA ' ' A' ' 57' ' ' VAL . 1.1 m-85 -135.7 158.41 44.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 94.5 p -119.63 171.69 8.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.408 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 65.2 m-85 -156.62 131.57 9.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.559 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 5.0 ptp180 -120.68 -168.7 1.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.244 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.54 ' HE3' ' CE2' ' A' ' 38' ' ' PHE . 17.3 mmm -141.31 159.58 41.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.18 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -153.58 154.02 33.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -117.85 144.08 45.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.425 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 41.4 t -136.06 129.07 46.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 35.0 p-10 -134.36 179.63 6.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.16 -17.8 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.494 ' CG1' HD23 ' A' ' 17' ' ' LEU . 58.7 t -82.19 -79.78 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.461 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -161.45 -150.82 6.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.425 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -118.66 146.07 44.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 110.384 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.42 ' CB ' ' CD ' ' A' ' 106' ' ' PRO . 0.4 OUTLIER -82.37 174.01 6.72 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.986 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 105' ' ' SER . 18.3 Cg_endo -75.02 173.24 14.85 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.799 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.411 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -74.95 136.73 20.9 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 109' ' ' GLN . 2.6 t -94.14 145.09 24.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 108' ' ' SER . 2.2 mp0 -37.66 140.34 0.52 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.57 34.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.791 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 79.7 p -77.54 146.42 36.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 112' ' ' ARG . 23.0 mtm105 -39.33 146.81 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -66.34 117.35 8.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 pp -109.3 173.12 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -127.73 109.91 12.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 19.7 p -61.51 153.95 25.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.447 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 55.4 mt -65.98 172.68 3.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.349 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.421 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 38.2 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.421 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.99 147.79 34.46 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.498 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -75.0 162.17 37.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -116.33 173.94 6.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.486 HD23 ' CG1' ' A' ' 102' ' ' VAL . 11.6 mt -78.16 154.79 79.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.452 ' CG ' ' HB2' ' A' ' 98' ' ' GLN . 18.5 Cg_endo -74.98 -161.41 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.454 1.765 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.47 169.44 23.44 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.18 4.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 140.6 25.56 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.79 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.6 p -113.51 -165.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 64.49 26.06 13.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.02 128.16 35.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.4 147.18 16.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.474 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 26.2 mm -99.73 121.03 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 m -127.17 167.89 15.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 41.07 54.67 3.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.5 mt -68.7 100.22 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -84.97 -168.82 45.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -48.11 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -128.98 10.25 5.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.418 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 1.1 p -147.35 148.47 31.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.032 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.475 HG13 ' CD1' ' A' ' 86' ' ' LEU . 1.1 m -149.72 164.1 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.7 m -107.28 113.24 26.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.429 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.474 ' HG ' ' CD1' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -96.98 129.06 44.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -111.12 143.81 41.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 35.3 p90 -157.58 -171.45 3.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -157.87 132.71 5.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 111.39 3.31 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.39 -72.03 0.85 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.494 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 10.6 t80 -129.37 86.71 2.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.06 -58.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.494 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 115.18 58.52 0.35 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt 43.45 34.42 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.7 t -173.53 141.89 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.7 m -73.35 163.56 27.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.561 HG13 ' CH2' ' A' ' 51' ' ' TRP . 7.5 mm -81.2 137.29 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.2 m -85.01 -27.91 26.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.471 ' CD ' HD11 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -170.24 138.77 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.561 ' CH2' HG13 ' A' ' 48' ' ' ILE . 46.0 m95 -95.66 135.44 37.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.472 ' HG ' ' CD1' ' A' ' 68' ' ' LEU . 1.6 tp -106.2 134.22 49.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.8 t -127.88 105.78 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -99.83 169.68 9.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.548 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . . . -167.02 162.29 15.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.428 ' CD ' ' NE1' ' A' ' 66' ' ' TRP . 7.3 mt-30 -121.97 148.52 44.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 43.8 t -88.76 127.13 41.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 38.77 -95.2 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.551 1.157 . . . . 0.0 111.032 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' VAL . 46.9 t -50.77 99.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.317 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.52 ' CH2' ' HB3' ' A' ' 93' ' ' SER . 10.2 m95 -116.49 117.21 29.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 107.985 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 mt -107.18 158.32 17.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.472 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 1.7 tp -74.43 142.17 44.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.403 HG13 ' N ' ' A' ' 70' ' ' HIS . 4.0 pt -124.35 -42.02 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.431 ' CE1' ' HD2' ' A' ' 84' ' ' PRO . 13.3 t60 -139.82 142.06 36.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.581 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -144.72 133.94 22.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.448 ' CD2' ' CB ' ' A' ' 78' ' ' ALA . 23.8 tp -106.9 118.34 36.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.0 m -103.54 150.0 24.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.978 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 46.98 81.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 171.64 67.65 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -17.24 19.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -84.48 -22.26 30.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.586 1.179 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.448 ' CB ' ' CD2' ' A' ' 72' ' ' LEU . . . -58.33 108.84 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -88.56 -23.54 23.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.9 p -143.29 163.05 34.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.6 ptp -162.85 157.7 21.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.414 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 24.3 tt0 -89.65 138.74 31.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.1 t -115.4 93.65 36.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.431 ' HD2' ' CE1' ' A' ' 70' ' ' HIS . 18.2 Cg_endo -74.99 -165.01 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.792 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 46.98 65.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 34' ' ' VAL . 72.4 mt -124.09 146.36 48.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.516 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 4.0 m120 -86.17 116.74 66.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 151.56 39.93 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.539 1.81 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.433 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 38.9 t80 54.92 42.31 31.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.1 m -147.77 139.12 23.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 62.9 m -74.64 118.89 18.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 108.304 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.516 ' CE1' ' HB2' ' A' ' 87' ' ' ASN . 1.8 m-85 -136.35 151.8 49.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.52 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 0.6 OUTLIER -119.56 160.4 22.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.548 ' CD1' ' HB3' ' A' ' 55' ' ' ALA . 62.7 m-85 -143.96 156.11 44.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.408 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 5.5 ptp180 -139.86 -169.74 2.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.573 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -135.38 164.38 27.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -167.65 144.57 4.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.452 ' HB2' ' CG ' ' A' ' 18' ' ' PRO . 35.7 mt-30 -113.81 148.27 36.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.4 t -135.45 126.55 44.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.354 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -135.67 -178.67 5.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -11.9 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.498 ' CG2' ' HB2' ' A' ' 15' ' ' PRO . 97.7 t -80.27 -72.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.433 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -163.92 -145.16 4.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.452 1.095 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.6 109.43 10.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 110.396 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.4 p -53.08 160.84 1.42 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 109.978 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.78 13.92 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.94 25.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.456 1.767 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 t -94.48 165.89 12.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.08 136.83 57.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 153.46 41.7 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.788 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.4 p -80.25 164.33 23.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.053 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -53.36 151.65 5.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 119.85 12.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.2 pp -112.94 168.08 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -126.47 108.07 10.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 36.6 p -57.82 157.86 7.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.439 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.4 mt -67.68 175.83 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.7 34.33 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.495 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -74.98 167.06 27.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.448 ' N ' HG23 ' A' ' 102' ' ' VAL . 47.7 mt-10 -119.74 175.97 5.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.491 HD23 ' CG1' ' A' ' 102' ' ' VAL . 10.5 mt -76.83 153.61 83.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.47 ' CD ' HD22 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.05 -161.13 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.544 1.813 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -134.0 168.86 23.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.15 5.17 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.477 1.777 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 136.58 20.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.1 p -112.48 -167.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 62.54 30.04 17.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.51 147.64 45.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.0 137.25 2.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.459 HG23 ' CG2' ' A' ' 34' ' ' VAL . 5.3 mp -111.78 117.49 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.3 t -122.91 166.93 14.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.088 . . . . 0.0 109.966 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 58.72 42.63 19.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.4 mt -64.28 121.17 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -100.12 -155.55 27.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -57.41 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.769 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -130.28 24.12 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.77 136.85 16.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.484 HG11 ' CD1' ' A' ' 86' ' ' LEU . 1.8 m -144.41 163.6 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 m -104.59 123.68 47.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.67 129.92 47.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -113.63 155.72 24.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -178.47 -177.33 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -149.82 134.98 9.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 109.81 3.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.63 -71.89 0.93 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.511 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 12.1 t80 -125.52 100.67 6.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.79 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -55.03 -51.43 66.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.511 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 110.63 33.61 2.42 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.483 1.114 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt 61.56 35.61 17.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -172.16 123.93 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.366 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 m -55.8 147.78 18.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.535 HG13 ' CH2' ' A' ' 51' ' ' TRP . 7.4 mm -67.0 144.78 14.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.6 t -92.02 -31.98 15.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.485 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -169.59 140.25 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.535 ' CH2' HG13 ' A' ' 48' ' ' ILE . 23.0 m95 -96.16 136.7 36.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.042 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.485 ' CD1' ' HD3' ' A' ' 50' ' ' ARG . 0.9 OUTLIER -107.76 130.32 54.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.7 t -122.41 104.97 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.471 ' HB2' ' CG ' ' A' ' 95' ' ' ARG . 9.5 mt-10 -104.45 159.14 15.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -148.83 164.0 35.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.583 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 4.1 mt-30 -120.08 143.08 48.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.147 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.601 ' HA ' ' CE1' ' A' ' 92' ' ' TYR . 1.6 p -89.24 132.44 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 60' ' ' VAL . . . 37.26 -96.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 57' ' ' VAL . 12.2 p -45.95 97.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 58' ' ' GLY . 79.1 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.622 ' CD2' ' CZ ' ' A' ' 95' ' ' ARG . 5.4 m95 -114.91 107.01 14.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 108.034 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mt -88.21 151.48 22.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 9.1 tp -78.14 153.31 32.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.43 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 3.8 pt -133.2 -48.32 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.453 ' NE2' ' O ' ' A' ' 82' ' ' GLU . 41.1 t60 -129.29 151.28 50.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.597 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -155.95 127.45 7.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.3 tp -104.01 109.39 21.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.14 155.75 16.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.5 t30 40.95 77.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 176.97 64.95 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.316 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.78 8.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -115.44 50.48 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.08 108.12 9.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -76.5 -33.5 58.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.5 p -143.3 168.55 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -165.72 158.46 15.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.453 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 23.5 tt0 -84.56 139.9 31.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.4 t -113.66 94.12 31.24 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -164.77 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 t70 44.63 65.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.484 ' CD1' HG11 ' A' ' 34' ' ' VAL . 42.3 mt -120.41 142.16 49.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 0.7 OUTLIER -88.12 113.61 55.71 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.483 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.4 Cg_endo -74.96 146.15 32.48 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.2 t80 68.71 37.4 2.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.57 HG23 ' CE2' ' A' ' 92' ' ' TYR . 86.0 m -148.12 138.03 22.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.353 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 69.2 m -77.07 117.43 18.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 108.299 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.601 ' CE1' ' HA ' ' A' ' 57' ' ' VAL . 4.2 m-85 -136.51 162.12 33.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.604 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 73.8 m -119.48 -176.92 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 93' ' ' SER . 52.2 m-85 -156.77 127.36 6.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.622 ' CZ ' ' CD2' ' A' ' 66' ' ' TRP . 5.8 ptp180 -127.14 144.78 50.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.401 ' HE1' ' CE3' ' A' ' 51' ' ' TRP . 17.4 mmm -97.19 160.07 14.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -156.6 148.54 22.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -114.37 148.18 38.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.44 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 91.9 t -139.53 124.54 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.422 ' ND2' HG22 ' A' ' 102' ' ' VAL . 31.1 p30 -133.09 -179.77 5.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.48 -13.55 8.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.495 ' CG2' ' HB2' ' A' ' 15' ' ' PRO . 24.8 t -79.95 -70.16 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -165.74 -150.19 6.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.44 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -126.9 101.66 6.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 110.408 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 p -42.44 163.31 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.08 13.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 140.19 25.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.5 t -94.3 166.9 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.74 137.74 24.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.56 42.13 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.452 ' CB ' ' CD1' ' A' ' 26' ' ' ILE . 53.3 p -75.66 167.03 22.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.954 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -64.27 159.51 20.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 113.57 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -107.54 -174.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -147.55 109.54 4.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 18.1 p -66.51 144.44 56.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.369 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 39.2 mt -64.16 176.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.274 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.461 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 60.2 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.461 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 147.65 34.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.491 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.05 161.0 39.32 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.406 ' N ' HG23 ' A' ' 102' ' ' VAL . 48.9 mt-10 -117.3 176.89 4.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.475 HD23 ' CA ' ' A' ' 103' ' ' GLY . 8.3 mt -77.65 152.17 80.46 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -161.58 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.49 167.32 20.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 120.0 5.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 145.25 31.05 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.518 1.799 . . . . 0.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.0 p -120.48 -168.07 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.365 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 63.29 24.93 14.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.12 133.57 49.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.32 142.42 7.71 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.555 1.16 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mp -111.05 129.37 66.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.3 m -130.19 168.97 15.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 50.28 43.47 26.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.4 mt -56.69 110.2 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.08 -169.62 46.13 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -44.15 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -134.05 10.8 3.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.3 139.78 24.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.971 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 86' ' ' LEU . 2.4 m -140.92 165.28 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 m -106.87 110.12 22.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.368 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 tt -92.76 116.0 28.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -99.97 142.58 31.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.565 ' CE1' ' O ' ' A' ' 79' ' ' ARG . 20.6 p90 -157.18 179.26 9.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -145.72 129.79 8.66 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 115.29 4.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.81 . . . . 0.0 110.966 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.33 -78.72 0.54 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -127.41 124.49 38.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.26 -59.34 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.13 36.75 1.19 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.6 mttt 79.27 3.0 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 t -153.52 126.08 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.397 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 m -55.18 -175.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.454 HG13 ' CH2' ' A' ' 51' ' ' TRP . 5.3 mm -94.62 147.93 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.49 -26.63 13.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.471 ' CD ' HD11 ' A' ' 52' ' ' LEU . 3.7 tmm_? -169.94 142.26 2.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.454 ' CH2' HG13 ' A' ' 48' ' ' ILE . 19.8 m95 -99.37 129.13 45.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.018 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.478 ' HG ' ' CD1' ' A' ' 68' ' ' LEU . 2.9 tp -102.25 126.43 49.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.4 t -116.76 106.61 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.416 ' OE1' ' NH2' ' A' ' 97' ' ' ARG . 39.5 mt-10 -100.43 163.82 12.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.539 ' HA ' ' CZ3' ' A' ' 66' ' ' TRP . . . -162.62 160.26 25.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.46 146.82 45.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.51 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 45.3 t -81.07 133.03 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 57' ' ' VAL . . . 35.03 -100.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.4 p -40.56 103.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.0 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.539 ' CZ3' ' HA ' ' A' ' 55' ' ' ALA . 5.6 m95 -114.48 128.43 56.33 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mt -107.74 154.97 20.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.478 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 9.1 tp -76.92 154.52 33.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 70' ' ' HIS . 6.2 pt -135.06 -46.88 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.421 ' N ' HG13 ' A' ' 69' ' ' ILE . 57.5 t60 -132.2 135.46 46.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.615 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -140.2 118.46 12.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.3 tp -103.95 117.28 33.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 m -104.73 148.04 27.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.434 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 71.5 m-80 59.89 87.03 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER 164.63 68.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.27 7.95 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -101.82 -43.28 5.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -43.42 111.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.565 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -91.7 -26.26 18.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.348 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.53 160.2 41.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.965 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.477 ' HE2' ' CE1' ' A' ' 38' ' ' PHE . 2.0 ptt? -163.95 160.64 22.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -82.91 142.79 31.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.9 t -117.78 93.75 44.58 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.418 ' HD2' ' ND1' ' A' ' 70' ' ' HIS . 18.1 Cg_endo -74.98 -163.91 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.444 1.76 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 t0 48.51 65.47 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.468 ' CD1' HG13 ' A' ' 34' ' ' VAL . 84.6 mt -125.82 150.45 47.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -88.55 120.54 70.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.481 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -75.03 139.99 24.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.0 t80 61.91 46.1 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 78.1 m -148.07 136.59 21.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.344 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 61.6 m -74.48 124.54 26.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 108.288 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.51 ' CZ ' ' HA ' ' A' ' 57' ' ' VAL . 2.1 m-85 -143.53 162.55 35.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.517 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 4.6 t -119.46 173.31 7.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.983 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 93' ' ' SER . 45.9 m-85 -157.17 140.75 15.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.25 -168.86 2.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.509 ' HE2' ' CE2' ' A' ' 38' ' ' PHE . 18.9 mmm -142.56 159.58 41.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.416 ' NH2' ' OE1' ' A' ' 54' ' ' GLU . 17.4 mtt180 -157.16 150.54 24.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -115.69 141.72 47.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.406 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 78.9 t -128.82 125.24 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -131.21 -179.53 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -13.49 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.491 ' CG2' ' HB2' ' A' ' 15' ' ' PRO . 93.4 t -81.05 -80.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.475 ' CA ' HD23 ' A' ' 17' ' ' LEU . . . -156.56 -155.52 7.46 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.406 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -119.72 103.58 9.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.783 . . . . 0.0 110.457 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.23 165.89 0.13 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.041 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 174.41 12.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.475 1.776 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 139.18 23.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.5 t -94.4 158.3 15.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -47.01 137.57 7.81 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.54 42.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.79 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 p -77.43 174.67 10.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.038 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -69.09 168.42 13.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.62 121.37 18.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 pp -117.96 170.16 7.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -134.16 120.1 19.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.347 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.6 p -75.37 156.81 35.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 20.5 mt -73.98 178.05 5.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.81 34.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.422 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.5 Cg_endo -74.96 156.39 43.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -111.88 167.98 9.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.449 HD22 ' CG1' ' A' ' 102' ' ' VAL . 8.2 mt -77.01 153.81 82.75 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.411 ' CD ' HD21 ' A' ' 17' ' ' LEU . 18.5 Cg_endo -74.97 -176.89 3.1 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.443 1.759 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.56 173.66 18.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.26 5.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 156.94 42.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.773 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.5 p -125.2 -165.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.42 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.3 m120 61.44 34.44 18.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.342 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.49 132.11 36.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -145.66 159.44 27.92 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.473 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 15.7 mm -124.4 104.44 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.54 172.61 10.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 46.69 52.79 10.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.4 mt -77.89 101.53 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.92 -158.87 29.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.429 1.081 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -56.9 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.523 1.801 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -126.96 21.59 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.427 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 0.8 OUTLIER -151.45 143.2 23.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.471 HG11 ' CD1' ' A' ' 86' ' ' LEU . 2.2 m -151.23 153.27 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.0 m -95.43 129.58 42.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' HG ' ' CD1' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -114.6 119.48 36.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -99.73 141.46 32.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.592 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 30.0 p90 -156.04 -179.59 8.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -148.5 136.0 10.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 106.75 2.34 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.31 -45.0 32.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -157.78 97.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -59.41 -57.34 13.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.346 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.66 41.56 0.29 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt 49.82 28.46 2.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 0.0 109.298 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 47' ' ' SER . 7.5 t -156.96 24.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 46' ' ' THR . 6.3 t 43.64 -166.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.53 HG13 ' CZ3' ' A' ' 51' ' ' TRP . 25.2 mm -113.23 144.85 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.424 ' N ' HG21 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -96.08 -34.57 11.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.465 ' CD ' HD11 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -159.57 137.88 10.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.53 ' CZ3' HG13 ' A' ' 48' ' ' ILE . 18.5 m95 -97.12 124.11 41.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 107.98 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.483 ' CD1' HD12 ' A' ' 68' ' ' LEU . 3.4 tp -95.85 143.43 27.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.0 t -134.14 114.01 18.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -108.23 169.49 8.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -163.47 161.56 24.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.4 137.91 54.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.245 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 29.4 t -76.07 134.99 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' VAL . . . 36.42 -98.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.573 1.171 . . . . 0.0 111.027 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 57' ' ' VAL . 3.1 p -41.1 118.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.601 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 11.3 m95 -118.35 113.1 20.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.002 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.3 mt -102.67 158.2 16.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.483 HD12 ' CD1' ' A' ' 52' ' ' LEU . 2.4 tp -73.19 151.03 41.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.43 HG13 ' N ' ' A' ' 70' ' ' HIS . 7.0 pt -132.19 -44.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.43 ' N ' HG13 ' A' ' 69' ' ' ILE . 79.9 t60 -136.01 137.05 40.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -142.13 124.61 15.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.7 tp -106.75 124.18 49.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.3 OUTLIER -108.64 163.13 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 0.8 OUTLIER 38.93 83.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER 166.48 67.86 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -26.88 10.47 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.461 1.769 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -69.92 -35.98 74.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -48.87 116.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -97.12 -21.32 17.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.299 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.2 p -143.27 165.15 28.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.06 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.435 ' HE1' ' CE1' ' A' ' 38' ' ' PHE . 3.1 ptt? -169.81 162.14 9.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -89.37 145.26 25.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 110.342 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.0 t -114.14 93.59 31.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 85' ' ' ASP . 18.2 Cg_endo -74.99 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.462 1.769 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' PRO . 21.8 t0 40.13 69.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.471 ' CD1' HG11 ' A' ' 34' ' ' VAL . 19.7 mt -122.29 150.58 42.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -87.58 115.29 62.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.72 43.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.402 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 35.1 t80 47.75 42.34 15.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.953 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.4 m -147.43 136.4 22.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 57.0 m -74.4 114.08 12.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 108.256 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CZ ' ' HA ' ' A' ' 57' ' ' VAL . 2.2 m-85 -135.34 158.3 44.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 110.968 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 4.0 t -119.54 177.12 5.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.401 ' CG ' ' C ' ' A' ' 93' ' ' SER . 59.6 m-85 -156.8 135.13 11.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.601 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 5.6 ptp180 -122.63 -170.35 2.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.592 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -131.61 166.36 21.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.441 ' HD3' ' CG2' ' A' ' 104' ' ' THR . 6.6 mtt180 -170.25 143.97 2.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -113.81 138.47 50.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.495 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 55.5 t -127.75 120.56 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 103' ' ' GLY . 34.4 p-10 -123.68 174.34 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 tt -54.89 -18.87 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.449 ' CG1' HD22 ' A' ' 17' ' ' LEU . 38.2 t -80.44 -73.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' ' OD1' ' A' ' 100' ' ' ASN . . . -164.09 -144.29 3.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.431 1.082 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.495 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -130.59 148.15 52.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.767 . . . . 0.0 110.408 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.408 ' CB ' ' CD ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -82.05 173.78 7.1 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.984 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 105' ' ' SER . 18.4 Cg_endo -75.01 168.09 25.6 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.477 1.777 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.407 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -75.02 136.1 19.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.1 t -94.8 149.44 21.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.8 147.84 0.39 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 149.26 36.28 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.0 p -77.61 155.5 31.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.028 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -43.66 149.35 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.44 139.11 51.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 pp -139.57 176.09 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.6 118.87 20.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.5 p -68.96 149.8 48.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 110.398 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 54.1 mt -68.02 173.24 4.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 62.4 t . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 147.93 34.57 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.432 1.754 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.491 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -75.04 161.42 38.66 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.462 ' O ' ' CG2' ' A' ' 102' ' ' VAL . 43.7 mt-10 -111.59 175.74 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.487 HD21 ' CG1' ' A' ' 102' ' ' VAL . 12.2 mt -77.76 154.96 80.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.471 ' CD ' HD23 ' A' ' 17' ' ' LEU . 18.5 Cg_endo -74.98 -166.37 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.541 1.811 . . . . 0.0 111.053 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.34 164.82 20.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 120.11 5.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.97 37.39 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.465 1.771 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.7 p -124.85 -166.3 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.359 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 m120 61.49 31.7 18.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.67 133.07 42.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.22 153.56 24.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.48 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 10.5 mm -110.61 117.51 55.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.9 t -129.48 166.13 20.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 42.2 55.79 3.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.452 ' CG1' HG22 ' A' ' 26' ' ' ILE . 8.5 mt -71.27 100.55 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.74 -168.57 39.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -50.04 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -128.64 11.28 6.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.09 139.04 23.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.451 HG12 ' CD1' ' A' ' 86' ' ' LEU . 1.5 m -143.69 161.86 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 m -106.37 120.1 40.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.48 ' HG ' ' CD1' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -106.94 122.61 46.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -101.11 143.03 31.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.529 ' CE2' ' HE1' ' A' ' 96' ' ' MET . 11.3 p90 -154.22 -174.73 5.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -149.87 130.65 7.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 109.87 3.01 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.45 -54.53 25.84 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.443 1.09 . . . . 0.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.565 ' CE2' ' HA2' ' A' ' 44' ' ' GLY . 47.9 t80 -157.61 137.69 12.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -81.48 -61.52 1.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.565 ' HA2' ' CE2' ' A' ' 42' ' ' TYR . . . 119.81 33.81 1.04 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 44' ' ' GLY . 5.3 mttt 89.09 -22.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.8 t -127.85 130.57 48.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.0 p -55.59 -179.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.451 HG13 ' CH2' ' A' ' 51' ' ' TRP . 19.7 mm -90.84 146.12 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.2 m -98.17 -27.67 14.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.483 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -171.22 143.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.451 ' CH2' HG13 ' A' ' 48' ' ' ILE . 13.2 m95 -99.64 143.61 29.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.005 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.483 ' CD1' ' HD3' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -112.49 133.21 54.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.2 t -127.51 104.8 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -101.13 164.64 11.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -151.34 163.86 37.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -120.14 140.24 51.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 59' ' ' VAL . 26.3 t -80.44 128.21 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.474 ' O ' ' CG2' ' A' ' 60' ' ' VAL . . . 36.78 -96.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 57' ' ' VAL . 98.4 t -40.77 107.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 84.3 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.602 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 8.5 m95 -111.26 114.37 27.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 107.968 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.8 mt -104.54 158.44 16.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.474 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 5.2 tp -78.05 152.49 32.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.438 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 3.4 pt -136.99 -47.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.487 ' CE1' ' O ' ' A' ' 82' ' ' GLU . 85.5 t60 -127.65 140.22 52.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.611 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -149.19 124.84 10.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.3 tp -103.55 114.34 28.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 74' ' ' ASN . 3.6 m -98.18 155.53 17.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 73' ' ' SER . 3.5 t30 40.21 84.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 173.07 65.05 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -2.51 12.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.468 1.772 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.05 48.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.07 99.52 6.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -65.04 -36.55 84.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.238 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.4 p -143.74 167.71 21.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.48 ' HE2' ' CZ ' ' A' ' 38' ' ' PHE . 3.9 ptp -160.28 157.93 28.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.487 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 12.8 tt0 -87.87 140.14 29.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.253 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.4 t -114.09 93.58 30.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.423 ' HD2' ' ND1' ' A' ' 70' ' ' HIS . 18.3 Cg_endo -75.0 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.6 t70 44.86 63.75 1.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.451 ' CD1' HG12 ' A' ' 34' ' ' VAL . 17.3 mt -120.38 140.79 50.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -86.29 114.2 56.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.489 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.2 Cg_endo -75.02 150.2 37.72 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.426 1.751 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.6 t80 62.58 36.99 13.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.1 m -147.71 136.28 21.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.389 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 57.4 m -74.61 114.04 12.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.281 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.409 ' OH ' ' CG2' ' A' ' 57' ' ' VAL . 1.3 m-85 -133.46 160.42 37.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -119.13 175.27 5.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 93' ' ' SER . 58.6 m-85 -154.41 141.83 19.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.602 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 4.5 ptp180 -130.97 -169.93 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.529 ' HE1' ' CE2' ' A' ' 38' ' ' PHE . 22.5 mmm -141.24 159.9 41.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -160.11 155.68 25.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -119.5 136.06 54.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.7 t -124.48 121.23 61.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.442 ' ND2' HG21 ' A' ' 102' ' ' VAL . 36.2 p30 -132.86 179.56 6.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.27 -15.14 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.491 ' CG2' ' HB2' ' A' ' 15' ' ' PRO . 19.9 t -80.25 -63.71 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.422 ' N ' HD21 ' A' ' 17' ' ' LEU . . . -177.37 -151.29 9.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.52 114.75 21.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 0.0 110.427 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.22 166.05 0.45 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 173.94 13.63 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.418 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.3 Cg_endo -75.01 136.81 20.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 t -93.97 164.31 13.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.057 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.05 132.62 22.92 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 152.67 41.38 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.487 1.782 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.1 p -79.02 159.0 27.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.023 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -57.58 157.41 7.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.97 114.0 4.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 pp -107.25 166.29 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -122.14 116.09 23.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 p -72.87 150.81 42.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.386 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.489 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 36.0 mt -65.34 174.4 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.463 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 39.7 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.463 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.05 147.33 33.59 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.532 1.806 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 164.21 33.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 75.5 mm-40 -122.43 -179.32 4.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.473 HD22 ' CG1' ' A' ' 102' ' ' VAL . 7.3 mt -82.26 152.84 68.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -163.11 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.477 1.777 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.25 169.31 21.79 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.92 4.73 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 142.87 28.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.77 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.7 p -121.65 -165.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m120 64.86 25.42 12.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.32 137.15 52.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -148.91 163.94 29.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.466 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 4.9 mm -127.04 105.41 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 98.5 p -121.36 172.87 7.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 41.59 54.03 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.46 ' CG1' HG22 ' A' ' 26' ' ' ILE . 27.5 mt -71.28 101.27 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.51 -168.58 42.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.29 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -135.3 12.39 3.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.16 139.65 23.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.957 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 86' ' ' LEU . 1.4 m -144.02 164.67 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.2 m -106.14 116.11 31.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.466 ' HG ' ' CD1' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -101.88 116.32 32.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -99.71 142.4 31.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.452 ' CE1' ' HE1' ' A' ' 81' ' ' MET . 29.8 p90 -154.03 178.51 9.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.06 131.64 10.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.344 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 106.84 2.35 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.04 -63.5 3.79 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -136.2 101.28 4.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 0.732 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.53 -50.51 71.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.67 43.77 1.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt 54.85 32.97 18.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.9 t -170.59 126.78 0.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.415 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.1 m -59.1 147.99 32.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.41 HG13 ' CH2' ' A' ' 51' ' ' TRP . 7.3 mm -65.86 141.8 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.9 -28.63 17.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.97 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.441 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -168.42 141.54 3.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.237 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.41 ' CH2' HG13 ' A' ' 48' ' ' ILE . 32.5 m95 -98.94 135.22 40.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 108.008 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.47 ' HG ' ' CD1' ' A' ' 68' ' ' LEU . 1.2 tp -106.58 130.54 54.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.8 t -125.11 104.76 13.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.456 ' OE2' ' N ' ' A' ' 68' ' ' LEU . 3.3 mt-10 -98.85 166.4 11.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -162.57 155.3 19.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.454 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 1.5 mt-30 -116.75 131.9 56.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 46.5 t -72.04 133.57 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.48 -95.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 57' ' ' VAL . 7.4 p -52.64 98.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.411 ' CG2' ' HB2' ' A' ' 93' ' ' SER . 3.3 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.596 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 8.3 m95 -120.14 133.23 55.56 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -119.27 154.56 33.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.47 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 1.2 tp -75.87 149.71 37.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.43 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 3.5 pt -134.46 -45.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.569 ' CD2' ' O ' ' A' ' 82' ' ' GLU . 28.8 t60 -130.69 139.82 50.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.592 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -146.16 128.43 15.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.8 tp -103.59 116.56 32.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.6 m -99.39 154.77 17.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 40.49 84.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 169.91 66.3 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -20.0 17.23 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -77.41 -37.21 52.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -43.92 116.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -27.25 17.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.246 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.8 p -143.1 162.88 34.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.452 ' HE1' ' CE1' ' A' ' 38' ' ' PHE . 3.5 ptt? -164.42 162.11 21.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.569 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 13.3 tt0 -89.86 146.09 24.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.465 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 11.1 t -116.97 94.21 43.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.422 ' HD2' ' ND1' ' A' ' 70' ' ' HIS . 18.4 Cg_endo -74.98 -163.27 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 47.22 60.08 3.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.473 ' CD1' HG12 ' A' ' 34' ' ' VAL . 58.3 mt -119.39 142.69 47.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -87.13 121.42 71.49 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 154.59 42.72 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.6 t80 49.65 42.59 23.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 99.6 m -147.65 138.21 23.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.432 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 58.8 m -74.37 120.37 19.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 108.308 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 57' ' ' VAL . 2.0 m-85 -139.4 156.78 46.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.16 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.498 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -119.35 171.32 8.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.051 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.422 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 79.7 m-85 -154.37 144.91 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.596 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 6.2 ptp180 -133.3 -172.55 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 22.9 mmm -140.23 159.73 41.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -155.7 163.73 39.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -128.39 128.17 43.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.514 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 23.6 t -118.49 127.95 75.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 103' ' ' GLY . 47.6 p-10 -133.98 178.03 7.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.409 ' O ' HG13 ' A' ' 101' ' ' ILE . 0.1 OUTLIER -53.01 -34.48 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.473 ' CG1' HD22 ' A' ' 17' ' ' LEU . 85.4 t -65.29 -75.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.464 ' CA ' HD23 ' A' ' 17' ' ' LEU . . . -162.3 -154.59 7.62 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.514 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -118.0 129.94 55.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.764 . . . . 0.0 110.374 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.7 166.55 7.26 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 173.8 13.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.413 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -74.97 135.9 19.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.448 1.762 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.9 t -94.26 167.76 11.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.965 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -55.46 134.41 70.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.263 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 153.47 41.46 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.0 p -78.6 145.86 34.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -45.38 156.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 115.93 4.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.1 pp -106.14 172.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -131.85 108.88 9.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 70.1 p -66.47 167.15 11.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 23.1 mt -82.65 176.72 9.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.359 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.44 33.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.474 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.4 Cg_endo -74.97 160.42 40.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.443 1.759 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.462 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 77.6 mm-40 -116.31 177.39 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.481 HD22 ' CG1' ' A' ' 102' ' ' VAL . 7.4 mt -77.65 150.77 79.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.494 ' CG ' ' HB3' ' A' ' 98' ' ' GLN . 18.2 Cg_endo -75.03 -165.56 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.92 168.76 21.18 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 119.47 5.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 135.85 19.54 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.481 1.78 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.4 p -109.56 -166.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.368 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 61.47 30.86 19.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.42 131.18 41.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -150.31 146.78 16.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.493 HD11 ' CD2' ' A' ' 94' ' ' PHE . 3.3 mm -113.68 106.66 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.749 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.6 m -120.17 172.25 7.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 47.35 53.99 10.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.2 mt -75.1 100.88 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.36 -160.41 29.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -50.31 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.09 12.78 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.434 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 2.5 m -143.19 146.1 33.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.453 HG12 ' CD1' ' A' ' 86' ' ' LEU . 1.5 m -151.64 160.33 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.6 m -99.09 133.85 42.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.424 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' HG ' ' CD1' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -115.41 132.16 56.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -120.52 140.75 51.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.498 ' CE2' ' HE3' ' A' ' 96' ' ' MET . 11.5 p90 -156.07 -171.12 3.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.6 mtt85 -153.69 133.71 7.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 105.8 2.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.449 1.762 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.35 -65.18 3.43 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.479 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 8.1 t80 -142.7 91.91 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' TYR . 61.5 m-20 -40.37 -61.72 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.479 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 121.7 37.93 0.64 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 58.33 36.7 25.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -171.43 118.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 p -47.04 146.94 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.579 HG13 ' CH2' ' A' ' 51' ' ' TRP . 5.5 mm -65.75 143.73 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.428 ' N ' HG23 ' A' ' 48' ' ' ILE . 0.5 OUTLIER -90.55 -39.31 12.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.038 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -171.2 141.88 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.579 ' CH2' HG13 ' A' ' 48' ' ' ILE . 4.9 m95 -97.18 137.82 35.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 107.995 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.464 ' HG ' ' CD1' ' A' ' 68' ' ' LEU . 1.2 tp -107.76 128.57 54.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -121.52 106.2 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -101.91 171.57 7.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -161.4 158.65 27.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -116.65 158.66 23.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 59' ' ' VAL . 93.3 t -96.18 127.61 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 60' ' ' VAL . . . 36.55 -95.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 57' ' ' VAL . 53.7 t -41.17 98.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' GLY . 65.8 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.488 ' HG3' ' CD2' ' A' ' 67' ' ' LEU . 1.7 pt-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.43 ' CD1' ' NH2' ' A' ' 95' ' ' ARG . 8.2 m95 -126.95 128.89 47.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 107.982 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.488 ' CD2' ' HG3' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -103.74 149.51 24.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.464 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 3.1 tp -76.7 151.04 36.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.43 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 6.6 pt -136.42 -45.67 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.443 ' NE2' ' O ' ' A' ' 82' ' ' GLU . 69.8 t60 -130.81 139.48 50.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.631 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -147.58 123.22 10.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.0 tp -103.76 116.71 32.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 m -103.29 154.5 19.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.997 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.403 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 8.9 t-20 48.14 84.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER 167.59 70.71 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -23.38 13.82 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.504 1.792 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.32 -37.32 60.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -42.58 130.04 4.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.1 mmt-85 -112.93 -23.84 9.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.8 p -143.41 152.53 41.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.965 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -156.69 158.07 36.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.443 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 14.8 tt0 -88.14 146.84 25.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.8 t -119.38 92.99 46.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -164.42 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.0 t0 43.88 67.46 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 11.7 mt -118.63 150.65 39.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -86.44 113.68 53.77 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.7 42.83 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.519 1.8 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 t80 49.54 38.99 15.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.0 m -146.47 136.26 23.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.418 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 57.6 m -75.25 114.32 13.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 108.339 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.429 ' OH ' ' CG2' ' A' ' 57' ' ' VAL . 2.0 m-85 -131.76 159.74 37.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 22.8 p -119.51 171.28 8.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.52 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 64.2 m-85 -151.78 143.48 23.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.43 ' NH2' ' CD1' ' A' ' 66' ' ' TRP . 4.3 ptp180 -132.1 -172.46 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.259 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.498 ' HE3' ' CE2' ' A' ' 38' ' ' PHE . 15.3 mmm -137.89 160.29 39.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.417 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 71.2 mtt180 -154.14 148.94 26.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.494 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -117.56 127.9 54.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.507 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 59.2 t -120.97 130.36 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 43.0 p30 -135.02 -179.93 5.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.22 -16.77 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.481 ' CG1' HD22 ' A' ' 17' ' ' LEU . 43.7 t -82.17 -79.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.45 ' CA ' HD23 ' A' ' 17' ' ' LEU . . . -159.48 -149.16 5.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.507 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 1.0 OUTLIER -125.66 131.57 52.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.456 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.98 172.05 6.37 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.959 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 174.01 13.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.418 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.5 Cg_endo -75.02 137.82 22.18 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.502 1.79 . . . . 0.0 111.046 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 t -94.03 156.64 16.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.76 136.52 2.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 151.14 38.97 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.487 1.783 . . . . 0.0 111.047 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.0 p -76.92 140.82 40.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.961 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 65.3 mtt-85 -39.39 155.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 115.26 7.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 pp -110.3 177.01 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -128.27 127.0 41.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 110.317 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.9 p -84.58 146.1 27.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.431 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 33.0 mt -68.99 173.32 5.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.79 34.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.488 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -74.93 167.42 27.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.411 ' N ' HG22 ' A' ' 102' ' ' VAL . 74.6 mm-40 -122.4 -176.33 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.504 HD23 ' CG1' ' A' ' 102' ' ' VAL . 7.7 mt -84.99 151.06 56.82 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.45 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.54 164.7 21.66 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 118.29 5.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.66 19.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.772 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.9 p -111.46 -166.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.382 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 62.19 36.46 14.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.26 132.12 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.3 147.55 17.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.491 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 22.8 mm -101.32 116.27 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.6 p -128.07 167.64 16.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 109.969 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 41.69 53.18 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.461 ' CG1' HG22 ' A' ' 26' ' ' ILE . 6.2 mt -70.47 100.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.91 -165.66 37.85 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -55.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -123.21 -1.63 8.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.16 129.8 34.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.473 HG11 ' CD1' ' A' ' 86' ' ' LEU . 3.2 m -133.39 168.54 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.7 m -114.64 131.77 56.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.491 ' HG ' ' CD1' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -114.19 126.12 54.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -104.34 146.63 28.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -165.71 -169.77 1.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtt85 -147.58 131.8 8.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 101.47 1.47 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.52 -77.93 0.15 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -125.49 108.01 11.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -59.41 -40.2 85.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.79 34.52 3.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt 59.2 31.47 21.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 0.736 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.4 t -166.31 128.59 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.8 p -53.5 149.06 8.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 109.99 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.461 HG13 ' CH2' ' A' ' 51' ' ' TRP . 10.8 mm -75.04 136.68 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 t -83.63 -39.75 19.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.456 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -166.87 141.53 4.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.461 ' CH2' HG13 ' A' ' 48' ' ' ILE . 5.8 m95 -97.44 142.72 28.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 108.014 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.456 ' CD1' ' HD3' ' A' ' 50' ' ' ARG . 1.0 OUTLIER -109.04 136.77 48.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.9 t -129.61 105.02 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -101.87 159.68 15.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -148.55 164.32 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.438 ' CD ' ' NE1' ' A' ' 66' ' ' TRP . 2.0 tt0 -122.87 138.25 54.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 28.3 t -77.47 125.85 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.445 ' O ' ' CG2' ' A' ' 60' ' ' VAL . . . 36.98 -95.86 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.542 1.151 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' VAL . 3.1 p -39.99 101.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.557 0.798 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 78.2 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.523 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 7.0 m95 -116.59 108.46 15.98 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -99.37 155.49 17.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.425 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 13.0 tp -75.32 154.2 37.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.432 ' CG1' ' N ' ' A' ' 70' ' ' HIS . 2.2 pt -135.7 -48.31 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.532 ' CE1' ' O ' ' A' ' 82' ' ' GLU . 85.7 t60 -127.19 147.4 50.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.621 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -156.17 123.21 5.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.422 HD22 ' CB ' ' A' ' 78' ' ' ALA . 29.9 tp -103.6 114.85 29.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.5 133.92 45.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 t30 68.65 83.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.67 71.03 0.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 1.05 8.17 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -127.18 38.48 4.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.422 ' CB ' HD22 ' A' ' 72' ' ' LEU . . . -110.56 79.73 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -54.75 -30.31 56.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.097 . . . . 0.0 110.269 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.9 p -143.3 174.31 10.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.1 ptp -168.35 160.35 11.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 111.051 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.532 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 13.8 tt0 -87.55 139.3 30.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.2 t -113.45 94.35 31.37 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -165.46 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 40.42 72.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.473 ' CD1' HG11 ' A' ' 34' ' ' VAL . 76.3 mt -122.97 149.9 43.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -86.26 117.45 68.71 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 151.52 39.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 46.5 44.03 12.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 98.0 m -147.41 139.64 24.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 41.4 m -76.57 126.38 30.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 108.259 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 57' ' ' VAL . 1.9 m-85 -144.83 164.86 29.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.569 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 1.6 t -119.51 173.65 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 93' ' ' SER . 54.3 m-85 -157.1 132.37 9.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.523 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -122.47 -167.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 18.9 mmm -143.25 158.2 43.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -159.39 154.21 24.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.46 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 62.5 mt-30 -118.56 141.61 48.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.8 126.13 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -134.18 -179.5 5.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -61.06 -13.13 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.504 ' CG1' HD23 ' A' ' 17' ' ' LEU . 64.9 t -83.07 -82.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.474 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -159.11 -168.03 20.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.33 115.22 29.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.733 . . . . 0.0 110.369 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.86 169.08 0.93 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.952 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 174.25 13.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 140.15 25.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.554 1.818 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.8 p -94.02 161.7 14.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -44.91 129.39 5.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.97 41.43 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.5 p -83.86 154.83 23.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -53.85 159.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.61 126.22 29.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.3 pp -117.55 164.66 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.62 113.49 22.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 42.3 p -72.55 153.78 41.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 110.364 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.55 179.45 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 147.87 34.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.484 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -75.06 164.99 32.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' CG2' ' A' ' 102' ' ' VAL . 55.4 mt-10 -115.62 175.61 5.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.479 HD23 ' CG1' ' A' ' 102' ' ' VAL . 11.1 mt -76.73 154.33 83.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.472 ' CD ' HD22 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.0 -169.72 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.556 1.819 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 42' ' ' TYR . . . -124.33 163.87 17.94 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.58 6.13 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.433 1.754 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 142.56 27.87 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.554 1.818 . . . . 0.0 110.961 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 p -118.33 -168.7 1.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 60.12 36.03 21.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.39 147.53 39.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.57 135.88 2.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.523 ' CD1' ' CB ' ' A' ' 111' ' ' SER . 5.3 mp -104.33 131.38 53.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.789 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.8 p -132.99 165.6 24.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 54.26 46.13 25.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.458 ' CG1' HG23 ' A' ' 26' ' ' ILE . 49.7 mt -64.19 113.61 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.91 -160.79 36.87 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -52.75 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -129.07 13.21 6.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -145.75 142.89 29.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.967 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.469 HG12 ' CD1' ' A' ' 86' ' ' LEU . 1.5 m -146.38 172.36 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.3 m -112.45 122.42 47.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.365 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.77 125.09 49.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -107.04 156.06 19.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.472 ' CE2' ' HE3' ' A' ' 96' ' ' MET . 24.1 p90 -175.53 -170.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -155.92 133.85 6.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 112.8 3.65 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.527 1.804 . . . . 0.0 111.03 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.08 -72.89 0.92 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t80 -127.72 98.41 5.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.789 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.27 -51.18 59.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.0 50.71 0.67 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt 48.41 36.17 6.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 t -172.28 138.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 m -68.97 150.74 47.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.571 HG13 ' CH2' ' A' ' 51' ' ' TRP . 4.8 mm -72.14 137.89 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.26 -31.31 23.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.029 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.472 ' CD ' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -170.69 140.55 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.571 ' CH2' HG13 ' A' ' 48' ' ' ILE . 14.4 m95 -97.47 130.04 44.61 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.489 ' CD1' HD13 ' A' ' 68' ' ' LEU . 2.7 tp -99.94 138.15 37.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.5 t -128.27 105.07 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.464 ' OE2' ' CZ ' ' A' ' 97' ' ' ARG . 35.5 mt-10 -98.48 172.85 7.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -166.06 162.57 17.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.545 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -121.75 144.64 48.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.515 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 49.3 t -79.05 129.56 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.445 ' O ' ' CG2' ' A' ' 60' ' ' VAL . . . 36.26 -96.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' VAL . 73.6 t -40.07 115.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 97.4 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.545 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 8.8 m95 -110.06 120.18 41.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 107.991 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.1 mt -109.26 157.82 18.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.489 HD13 ' CD1' ' A' ' 52' ' ' LEU . 1.1 tp -74.84 149.96 39.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.424 HD11 ' CD2' ' A' ' 86' ' ' LEU . 4.3 pt -133.95 -43.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.459 ' NE2' ' O ' ' A' ' 82' ' ' GLU . 69.4 t60 -135.42 144.02 46.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.598 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -146.8 129.61 16.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.402 HD23 ' CB ' ' A' ' 78' ' ' ALA . 31.7 tp -104.14 106.42 16.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 m -96.08 146.26 24.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 50.46 82.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 169.74 66.58 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.24 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.46 8.89 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.66 54.77 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.402 ' CB ' HD23 ' A' ' 72' ' ' LEU . . . -127.27 99.72 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.441 ' NH1' ' HB2' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -64.7 -36.51 84.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.4 p -143.41 170.77 15.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.463 ' HE2' ' CZ ' ' A' ' 38' ' ' PHE . 3.2 ptt? -164.91 157.59 16.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.459 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 19.5 tt0 -85.01 138.67 32.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.9 t -113.74 94.19 31.91 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -165.49 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.804 . . . . 0.0 111.035 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.2 t70 40.41 75.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' A' ' 34' ' ' VAL . 36.7 mt -126.87 153.78 45.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -87.28 113.79 55.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 153.25 41.73 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.8 t80 48.39 40.98 15.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.8 m -147.44 139.31 24.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 33.1 m -74.52 131.66 41.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 108.347 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.515 ' CZ ' ' HA ' ' A' ' 57' ' ' VAL . 1.8 m-85 -151.2 163.46 38.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.549 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 4.5 t -119.58 175.5 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 93' ' ' SER . 54.7 m-85 -157.25 135.7 11.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.428 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -129.07 -176.25 3.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.472 ' HE3' ' CE2' ' A' ' 38' ' ' PHE . 15.2 mmm -133.86 160.31 38.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.464 ' CZ ' ' OE2' ' A' ' 54' ' ' GLU . 59.1 mtt180 -156.48 157.41 35.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.254 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.408 ' HB2' ' CG ' ' A' ' 18' ' ' PRO . 38.9 mt-30 -123.53 131.5 53.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.463 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 90.0 t -121.35 124.11 71.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.8 p30 -132.89 -179.31 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.95 -13.41 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 15' ' ' PRO . 20.1 t -82.03 -71.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.425 ' N ' HD23 ' A' ' 17' ' ' LEU . . . -166.02 -149.69 6.01 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.557 1.161 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.463 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -125.29 111.02 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 0.0 110.385 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 p -50.39 162.89 0.49 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.99 13.57 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.407 ' HB2' ' NH1' ' A' ' 95' ' ' ARG . 18.4 Cg_endo -74.96 137.54 21.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.9 t -94.26 158.75 15.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -39.81 132.47 1.44 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.17 43.0 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.523 ' CB ' ' CD1' ' A' ' 26' ' ' ILE . 80.7 p -77.17 163.8 26.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -65.63 162.41 18.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.68 116.24 6.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 pp -111.4 179.22 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -138.98 125.94 21.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 32.7 p -85.4 149.83 25.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 23.7 mt -71.96 176.24 5.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.488 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 59.9 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.488 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.93 148.05 35.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.467 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.1 Cg_endo -75.08 163.53 34.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.794 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 83.0 mt-10 -122.38 174.55 6.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.48 HD22 ' CG1' ' A' ' 102' ' ' VAL . 8.4 mt -76.91 151.48 82.1 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.405 ' CG ' ' HB3' ' A' ' 98' ' ' GLN . 18.0 Cg_endo -75.05 -161.88 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.42 167.1 21.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 120.75 6.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.777 . . . . 0.0 111.04 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 142.72 28.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.5 p -118.87 -166.15 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.413 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 m120 65.28 18.11 11.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.69 125.75 25.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.02 150.98 23.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.438 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 5.0 mm -108.04 112.96 42.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.0 m -129.09 171.92 11.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 44.7 46.07 8.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.406 ' CG1' HG22 ' A' ' 26' ' ' ILE . 7.3 mt -60.14 116.36 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.08 -167.27 28.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -67.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.475 1.776 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -116.17 12.99 15.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.28 130.28 11.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.491 HG13 ' CD1' ' A' ' 86' ' ' LEU . 2.1 m -130.71 178.75 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.4 m -118.31 110.88 18.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.408 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.453 HD11 ' CB ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -93.69 116.92 29.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -96.26 148.92 22.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.534 ' CG ' ' SD ' ' A' ' 96' ' ' MET . 5.7 p90 -166.51 -170.58 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -153.74 131.44 6.22 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 105.09 2.02 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.41 -93.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -107.13 104.72 14.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 0.804 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -54.01 -42.89 69.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.4 31.73 3.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt 63.1 28.12 15.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 t -165.87 127.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.6 p -48.95 165.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.965 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.557 HG13 ' CH2' ' A' ' 51' ' ' TRP . 5.4 mm -85.66 145.04 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.422 ' N ' HG22 ' A' ' 48' ' ' ILE . 9.7 p -95.1 -41.05 9.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.477 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -164.16 143.98 7.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.557 ' CH2' HG13 ' A' ' 48' ' ' ILE . 18.3 m95 -99.17 139.78 34.32 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.477 ' CD1' ' HD3' ' A' ' 50' ' ' ARG . 0.7 OUTLIER -111.57 129.65 56.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.7 t -121.24 104.91 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -101.43 161.51 13.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.517 ' HA ' ' CZ3' ' A' ' 66' ' ' TRP . . . -163.6 163.72 24.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.547 ' O ' ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -121.51 160.82 23.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.27 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 45.8 t -97.51 132.14 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.449 ' O ' ' CG2' ' A' ' 60' ' ' VAL . . . 37.71 -95.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' VAL . 73.3 t -42.57 118.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 81.5 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.532 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 5.4 m95 -117.38 121.98 42.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.026 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mt -109.2 151.9 25.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.424 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 7.4 tp -76.05 151.44 37.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.458 ' CG1' ' N ' ' A' ' 70' ' ' HIS . 1.1 pt -133.98 -49.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.458 ' N ' ' CG1' ' A' ' 69' ' ' ILE . 51.6 t60 -123.07 154.53 38.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.591 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -162.29 125.3 2.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.262 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 73' ' ' SER . 43.2 tp -103.4 130.53 50.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.484 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.6 OUTLIER -54.9 -166.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.987 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.484 ' C ' ' O ' ' A' ' 73' ' ' SER . 1.7 m120 -34.38 -87.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' ASN . 0.1 OUTLIER 38.03 69.2 1.53 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.67 11.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -110.56 33.54 4.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.14 108.04 12.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.478 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -86.18 -25.81 25.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.0 p -143.14 159.82 41.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.8 ptp -155.36 157.94 37.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -86.11 138.28 32.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.447 HG12 ' CB ' ' A' ' 70' ' ' HIS . 3.8 t -114.08 93.4 30.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -165.87 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.442 1.759 . . . . 0.0 111.031 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 44.43 66.95 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.491 ' CD1' HG13 ' A' ' 34' ' ' VAL . 31.5 mt -122.2 153.73 38.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.467 ' OD1' ' CZ ' ' A' ' 92' ' ' TYR . 4.1 m120 -85.78 115.45 61.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 142.61 28.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.8 t80 56.73 42.7 26.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.7 m -147.85 141.34 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.382 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 64.3 m -74.28 128.36 35.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 108.32 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.547 ' CD2' ' O ' ' A' ' 56' ' ' GLN . 1.7 m-85 -146.69 150.15 34.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -119.23 150.02 40.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.457 ' CD1' ' HB1' ' A' ' 55' ' ' ALA . 56.1 m-85 -134.19 157.28 46.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.532 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 5.8 ptp180 -139.45 -167.53 2.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.534 ' SD ' ' CG ' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -137.93 159.44 42.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -159.01 143.65 15.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.405 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -114.32 146.62 40.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.502 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 59.3 t -136.3 130.51 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 36.3 p-10 -135.23 -178.84 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.407 ' O ' HG13 ' A' ' 101' ' ' ILE . 0.6 OUTLIER -59.38 -14.59 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.238 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.48 ' CG1' HD22 ' A' ' 17' ' ' LEU . 96.5 t -81.97 -82.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.459 ' CA ' HD23 ' A' ' 17' ' ' LEU . . . -151.66 -158.68 8.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.502 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -118.48 101.33 8.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 0.737 . . . . 0.0 110.399 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.8 163.69 0.14 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.82 13.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.03 28.48 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 t -94.74 169.98 9.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.13 134.3 68.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 153.04 41.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.44 1.758 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.4 p -79.78 158.06 26.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.5 ptt-85 -56.04 155.54 6.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.75 120.13 13.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.9 pp -112.98 173.45 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -127.47 108.38 10.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 60.8 p -65.37 163.47 15.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.386 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 36.1 mt -73.56 175.16 7.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.26 35.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.536 1.809 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.465 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.4 Cg_endo -74.95 171.39 18.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 42.3 mt-10 -127.18 176.65 7.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.494 HD21 ' CG1' ' A' ' 102' ' ' VAL . 9.6 mt -76.55 153.07 83.59 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.452 ' CD ' HD23 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -74.99 -171.91 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.495 1.787 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 42' ' ' TYR . . . -123.29 163.62 16.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 128.15 11.28 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.473 1.775 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 146.71 32.97 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.2 p -114.13 -175.61 2.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 m120 60.89 35.76 19.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.18 132.65 44.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -172.4 139.69 5.38 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.496 ' CD1' ' CB ' ' A' ' 111' ' ' SER . 4.9 mp -108.59 129.94 62.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.488 0.758 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.9 p -129.57 171.42 12.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.041 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 48.44 42.59 18.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.411 ' CG1' HG21 ' A' ' 26' ' ' ILE . 6.9 mt -56.38 112.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.13 -166.68 42.3 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -50.91 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -129.55 14.98 6.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.83 138.39 19.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.046 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 86' ' ' LEU . 2.7 m -139.01 171.69 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 m -111.53 111.08 21.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.393 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 94' ' ' PHE . 3.1 tt -96.04 113.58 25.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -97.61 156.34 16.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.456 ' CG ' ' SD ' ' A' ' 96' ' ' MET . 5.4 p90 -173.41 -176.16 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.457 ' HG2' ' CD ' ' A' ' 79' ' ' ARG . 8.1 mtp180 -147.0 129.65 7.83 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 103.16 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.457 1.767 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.54 -70.41 1.05 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' GLY . 28.3 t80 -134.09 112.39 11.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.93 -44.7 79.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.17 20.55 5.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt 66.86 26.26 9.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 109.275 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.466 ' O ' ' CG2' ' A' ' 46' ' ' THR . 0.6 OUTLIER -151.13 24.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.397 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 46' ' ' THR . 0.8 OUTLIER 42.91 -166.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.987 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.569 HG13 ' CH2' ' A' ' 51' ' ' TRP . 14.9 mm -112.84 148.0 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.9 p -101.24 -23.31 14.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.969 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.422 ' NH1' ' HG3' ' A' ' 71' ' ' GLN . 4.3 ttm-85 -171.17 144.54 2.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CH2' HG13 ' A' ' 48' ' ' ILE . 24.1 m95 -106.83 119.49 39.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 107.972 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.47 ' HG ' ' CD1' ' A' ' 68' ' ' LEU . 5.2 tp -98.28 143.59 28.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.4 t -133.69 109.75 13.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.22 166.19 10.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -159.92 163.62 34.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CD ' ' NE1' ' A' ' 66' ' ' TRP . 2.7 mt-30 -118.57 147.99 43.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.456 HG23 ' CE2' ' A' ' 92' ' ' TYR . 37.9 t -86.84 133.03 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.426 ' O ' ' CG2' ' A' ' 60' ' ' VAL . . . 36.35 -98.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.099 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 57' ' ' VAL . 8.7 p -44.55 118.85 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 0.724 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 68.4 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.481 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 7.5 m95 -117.58 115.23 24.7 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -104.08 156.01 18.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.47 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 3.0 tp -74.07 157.42 36.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.424 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 5.5 pt -137.54 -45.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.445 ' HB2' ' CG1' ' A' ' 83' ' ' VAL . 54.2 t60 -132.3 133.49 44.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.595 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.422 ' HG3' ' NH1' ' A' ' 50' ' ' ARG . 5.5 pt20 -136.22 126.49 26.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 73' ' ' SER . 22.5 tp -107.87 131.92 53.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.475 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.6 OUTLIER -55.56 -166.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.965 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.475 ' C ' ' O ' ' A' ' 73' ' ' SER . 1.2 m120 -35.14 -83.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER 36.58 67.98 1.58 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.274 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.13 9.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.517 1.799 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -116.12 48.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.69 120.2 19.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.457 ' CD ' ' HG2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -97.88 -27.68 14.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -143.19 162.85 34.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.981 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.3 ptp -164.23 159.14 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.415 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 13.4 tt0 -83.29 138.64 33.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 70' ' ' HIS . 15.8 t -114.24 94.4 35.01 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -164.79 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.801 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 42.59 72.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.467 ' CD1' HG12 ' A' ' 34' ' ' VAL . 45.8 mt -126.36 152.82 45.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.45 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 9.9 m120 -88.35 113.4 55.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.501 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -75.0 147.93 34.6 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.461 1.769 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.0 t80 56.01 38.42 29.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.8 m -143.27 138.48 29.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.39 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.6 m -74.5 122.69 23.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 108.324 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.456 ' CE2' HG23 ' A' ' 57' ' ' VAL . 3.4 m-85 -143.65 159.95 41.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -119.62 177.78 4.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 93' ' ' SER . 53.2 m-85 -157.28 138.73 13.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.481 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 4.9 ptp180 -127.73 -168.23 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.456 ' SD ' ' CG ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -135.4 163.48 29.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -167.98 138.01 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.447 ' HB2' ' CG ' ' A' ' 18' ' ' PRO . 26.3 mt-30 -114.04 134.95 54.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.501 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 33.3 t -120.6 128.96 76.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.145 . . . . 0.0 109.239 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.464 ' HB2' ' CG2' ' A' ' 46' ' ' THR . 32.9 p-10 -135.26 -179.7 5.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.224 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -57.79 -16.26 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.494 ' CG1' HD21 ' A' ' 17' ' ' LEU . 40.6 t -81.85 -74.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.446 ' CA ' HD22 ' A' ' 17' ' ' LEU . . . -167.82 -148.67 5.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.501 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -126.05 123.32 38.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 110.407 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.94 170.36 2.66 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 173.49 14.4 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.37 22.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 109' ' ' GLN . 1.7 t -93.99 156.19 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.933 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -38.6 132.81 1.04 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 156.61 43.36 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.496 ' CB ' ' CD1' ' A' ' 26' ' ' ILE . 42.5 p -75.44 166.09 24.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -67.7 160.31 28.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.32 111.28 2.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 pp -107.68 179.24 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -141.07 109.76 6.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.1 p -65.2 152.91 42.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.434 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 20.6 mt -72.52 177.27 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.443 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 22.9 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.443 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.04 147.76 34.22 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.802 . . . . 0.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.504 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -74.97 165.01 32.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.791 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.465 ' O ' ' CG2' ' A' ' 102' ' ' VAL . 26.9 mt-10 -118.58 175.62 5.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.492 HD22 ' CG1' ' A' ' 102' ' ' VAL . 10.9 mt -76.71 153.56 83.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.467 ' CD ' HD21 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.03 -171.53 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -123.89 163.08 17.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 111.065 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.95 5.86 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.545 1.813 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 146.97 33.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.801 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.5 p -117.35 -166.12 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 110.377 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 m120 62.95 30.68 16.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.92 136.71 43.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -160.36 142.31 8.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.461 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 10.2 mm -103.59 109.14 26.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.4 p -127.05 168.67 14.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 50.2 50.26 18.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.459 ' CG1' HG23 ' A' ' 26' ' ' ILE . 64.1 mt -73.4 110.06 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.04 -154.23 30.97 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -69.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -117.45 18.97 14.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.433 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 1.4 m -148.26 146.41 28.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 86' ' ' LEU . 1.5 m -151.16 156.76 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.1 m -97.15 127.79 43.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.461 ' HG ' ' CD1' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -108.12 121.07 44.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -105.41 144.59 31.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.595 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 4.2 p90 -165.53 -172.52 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -148.26 130.33 7.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 112.21 3.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.811 . . . . 0.0 111.046 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.67 -81.95 0.25 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -119.34 108.51 14.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -52.88 63.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.03 36.69 1.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt 56.28 32.39 20.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.2 t -173.18 113.35 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.7 p -41.17 158.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.545 HG13 ' CH2' ' A' ' 51' ' ' TRP . 10.4 mm -81.9 146.65 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.8 m -92.26 -33.31 14.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.963 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.43 ' NH1' HD12 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -170.45 138.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.545 ' CH2' HG13 ' A' ' 48' ' ' ILE . 12.8 m95 -93.04 136.92 32.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 107.979 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.484 ' CD1' HD11 ' A' ' 68' ' ' LEU . 2.7 tp -103.06 148.0 26.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.6 t -137.78 106.41 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -101.46 163.82 12.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.548 ' HA ' ' CZ3' ' A' ' 66' ' ' TRP . . . -158.76 164.88 35.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.575 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -126.25 130.55 51.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 59' ' ' VAL . 48.6 t -67.95 132.79 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 57' ' ' VAL . . . 36.55 -96.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' VAL . 7.3 p -44.98 105.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 93' ' ' SER . 2.8 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.575 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 6.9 m95 -123.03 136.2 54.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 107.984 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.3 mt -120.17 160.62 22.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.484 HD11 ' CD1' ' A' ' 52' ' ' LEU . 1.6 tp -75.22 151.35 38.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.427 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 5.4 pt -134.11 -44.32 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.41 ' N ' HG13 ' A' ' 69' ' ' ILE . 16.7 t60 -139.25 148.35 42.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.578 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -147.33 134.66 20.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.6 tp -105.01 105.2 15.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.0 m -95.1 152.32 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.025 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.3 t30 45.04 75.56 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 177.0 64.96 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -10.5 21.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -102.34 39.84 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -117.75 115.12 24.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.505 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 1.7 tpt180 -87.0 -31.05 20.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.4 p -143.07 161.97 36.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.4 ptp -159.95 159.7 32.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -89.67 141.99 28.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.36 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.3 t -115.54 93.8 37.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -162.85 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.0 t70 45.09 63.46 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.467 ' CD1' HG13 ' A' ' 34' ' ' VAL . 21.1 mt -119.18 146.07 45.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.423 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 3.5 m-80 -85.99 121.31 72.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.52 42.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.1 t80 47.75 41.61 14.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.2 m -147.58 134.74 20.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.406 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 55.9 m -74.38 119.83 19.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 87' ' ' ASN . 2.5 m-85 -133.81 158.39 43.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 6.5 t -119.22 172.46 7.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.952 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.42 ' CD1' ' O ' ' A' ' 93' ' ' SER . 56.8 m-85 -157.02 139.99 15.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.37 -167.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.595 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -136.67 162.24 33.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 96' ' ' MET . 12.1 mtt180 -168.15 147.53 4.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.246 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.412 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 72.7 mt-30 -113.85 142.86 45.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.441 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 43.7 t -129.33 118.96 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.419 ' ND2' HG21 ' A' ' 102' ' ' VAL . 32.7 p30 -129.55 179.75 5.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -14.98 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.504 ' CG2' ' HB2' ' A' ' 15' ' ' PRO . 21.3 t -80.92 -66.14 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.449 ' N ' HD22 ' A' ' 17' ' ' LEU . . . -177.82 -156.27 16.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.441 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -120.72 112.9 19.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 110.43 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.42 171.87 0.2 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.986 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.34 12.95 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.528 1.804 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.87 17.06 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 t -93.89 154.69 17.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.047 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.61 126.65 1.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.535 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 18.2 Cg_endo -75.03 155.68 42.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.9 p -75.11 143.78 43.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -47.86 175.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -78.08 134.74 37.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.373 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 pp -131.49 179.69 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -131.55 123.91 28.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 41.4 p -83.73 149.94 26.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 48.6 mt -69.44 171.96 7.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 147.88 34.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.81 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.488 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.03 164.72 32.73 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.477 1.777 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.471 ' O ' ' CG2' ' A' ' 102' ' ' VAL . 84.8 mt-10 -116.3 175.0 5.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.498 HD21 ' CG1' ' A' ' 102' ' ' VAL . 11.5 mt -76.94 153.63 82.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.492 ' CD ' HD23 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.03 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.14 167.72 24.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 119.54 5.68 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.27 26.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.0 p -117.42 -167.57 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.379 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.0 m120 59.91 26.07 15.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.89 144.19 56.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -176.89 133.7 2.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.496 ' CD1' ' CB ' ' A' ' 111' ' ' SER . 4.9 mp -103.2 132.15 50.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.7 m -125.61 170.3 11.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 42.56 54.26 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.475 ' CG1' HG22 ' A' ' 26' ' ' ILE . 44.3 mt -64.42 108.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 33' ' ' SER . . . -83.0 -172.54 48.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -52.16 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -120.36 10.32 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.18 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.46 ' O ' ' CA ' ' A' ' 30' ' ' GLY . 4.8 m -150.91 151.3 31.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.47 HG13 ' CD1' ' A' ' 86' ' ' LEU . 2.9 m -148.5 164.27 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.6 m -103.69 107.19 17.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.4 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.42 ' HG ' ' CG1' ' A' ' 26' ' ' ILE . 0.6 OUTLIER -91.3 120.91 32.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -106.57 149.71 26.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.564 ' CE2' ' HE1' ' A' ' 96' ' ' MET . 8.4 p90 -163.1 -173.51 3.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -152.83 133.99 8.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 103.69 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.78 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.83 -61.09 5.19 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.509 1.13 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -140.45 92.23 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -51.63 -64.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.92 42.6 0.18 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt 47.22 27.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 0.728 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 47' ' ' SER . 6.8 t -155.19 23.43 0.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 46' ' ' THR . 7.4 t 43.59 -166.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.476 HG13 ' CH2' ' A' ' 51' ' ' TRP . 29.0 mm -114.54 147.31 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.84 -38.82 8.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.466 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -152.32 143.89 23.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.476 ' CH2' HG13 ' A' ' 48' ' ' ILE . 21.4 m95 -103.32 140.41 37.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 107.989 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.466 ' CD1' ' HD3' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -110.49 133.89 52.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.7 t -128.54 104.67 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.461 ' HB2' ' CG ' ' A' ' 95' ' ' ARG . 5.2 mt-10 -98.58 166.07 11.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -156.9 154.29 29.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.412 ' OE1' ' O ' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -118.19 143.8 46.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.511 HG23 ' CE2' ' A' ' 92' ' ' TYR . 28.9 t -86.72 130.96 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' VAL . . . 35.19 -98.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.412 ' O ' ' OE1' ' A' ' 56' ' ' GLN . 3.6 p -45.34 96.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' GLY . 5.5 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.611 ' CG ' ' CZ ' ' A' ' 95' ' ' ARG . 6.6 m95 -127.48 99.69 5.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.062 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.407 ' N ' HD21 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -87.17 154.72 20.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 9.7 tp -76.54 154.5 34.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.453 ' CG1' ' N ' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -135.44 -48.69 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.453 ' N ' ' CG1' ' A' ' 69' ' ' ILE . 67.7 t60 -126.47 138.29 53.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.553 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.408 ' OE1' ' CD2' ' A' ' 68' ' ' LEU . 18.3 pt20 -145.61 123.41 11.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 48.4 tp -104.29 117.74 34.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -99.81 156.63 17.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 49.4 t-20 43.55 91.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.436 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER 165.19 69.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -25.02 12.17 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.434 1.755 . . . . 0.0 110.983 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.92 -33.9 59.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -44.91 125.43 5.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -106.8 -24.87 11.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.4 p -143.33 159.85 41.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.524 ' HE2' ' CE1' ' A' ' 38' ' ' PHE . 3.3 ptt? -160.96 160.02 30.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -90.87 144.86 25.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.3 t -118.86 94.03 47.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -167.52 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.789 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 47.78 69.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.47 ' CD1' HG13 ' A' ' 34' ' ' VAL . 38.3 mt -127.17 145.44 50.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -86.98 113.64 54.48 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.455 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -74.98 147.35 33.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.9 t80 62.47 39.54 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 52.5 m -147.78 139.37 23.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 60.6 m -75.14 116.91 16.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 108.297 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.511 ' CE2' HG23 ' A' ' 57' ' ' VAL . 3.0 m-85 -136.23 153.99 51.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.46 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 1.3 t -119.55 165.19 14.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -142.72 152.02 41.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.611 ' CZ ' ' CG ' ' A' ' 66' ' ' TRP . 7.9 ptp180 -144.63 143.26 30.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.564 ' HE1' ' CE2' ' A' ' 38' ' ' PHE . 18.9 mmm -99.05 159.23 15.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -151.35 172.25 16.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -137.68 133.74 34.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.437 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 93.0 t -125.85 130.23 72.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.438 ' ND2' HG22 ' A' ' 102' ' ' VAL . 34.0 p30 -135.54 -179.16 5.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -13.23 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.498 ' CG1' HD21 ' A' ' 17' ' ' LEU . 15.5 t -80.82 -72.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.432 ' N ' HD21 ' A' ' 17' ' ' LEU . . . -161.91 -151.13 6.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.437 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 1.1 m -128.76 100.98 5.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 0.738 . . . . 0.0 110.413 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.403 ' OG ' ' HG2' ' A' ' 18' ' ' PRO . 1.4 p -42.44 163.4 0.14 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.985 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.16 13.26 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.555 1.818 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.83 27.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.8 p -94.4 172.59 8.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.64 141.18 84.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 153.17 41.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.496 ' CB ' ' CD1' ' A' ' 26' ' ' ILE . 97.0 p -75.38 165.71 24.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.033 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -59.3 149.73 28.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.93 114.46 4.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 pp -117.22 163.65 14.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -119.83 108.7 14.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.1 p -57.46 145.7 32.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 53.8 mt -57.99 173.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -166.62 90.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 0.79 . . . . 0.0 109.968 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.6 162.07 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.972 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.59 137.23 2.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.541 1.15 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.33 169.64 8.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.1 p -54.49 155.19 4.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.946 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.55 175.99 14.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 111.03 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -138.36 153.89 48.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 110.376 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mt -133.47 97.77 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.0 t -166.23 88.65 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.58 -59.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.65 129.69 2.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 p -139.95 127.17 12.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 147.53 33.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.474 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.03 164.98 32.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.812 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' N ' HG23 ' A' ' 102' ' ' VAL . 57.8 mt-10 -117.18 173.6 6.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.253 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.485 HD22 ' CA ' ' A' ' 103' ' ' GLY . 11.3 mt -78.23 154.63 79.68 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -161.97 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.23 171.01 20.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.538 1.149 . . . . 0.0 111.035 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 117.52 4.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 141.81 27.17 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.498 1.789 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.2 p -120.22 -166.34 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.2 t30 66.64 30.29 8.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.46 138.06 42.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.54 154.51 25.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.473 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 6.4 mm -118.54 105.42 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.773 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.3 t -130.56 172.68 11.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 48.04 44.03 18.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.454 ' CD1' HG23 ' A' ' 26' ' ' ILE . 43.3 mt -70.25 106.49 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.377 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.39 -155.07 31.34 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.421 1.076 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -127.44 22.97 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.6 138.02 17.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.484 HG11 ' CD1' ' A' ' 86' ' ' LEU . 1.3 m -146.83 156.27 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 m -98.11 119.31 36.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.436 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' HG ' ' CD1' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -105.92 114.77 29.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -89.98 158.4 17.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.405 ' CZ ' ' O ' ' A' ' 78' ' ' ALA . 52.7 p90 -172.29 179.1 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.82 133.4 10.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.3 2.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.7 -77.92 0.35 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -122.57 106.51 11.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 0.757 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.44 -51.74 68.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.15 48.67 0.81 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt 53.67 32.01 13.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -174.16 137.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.411 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.3 p -63.89 164.79 9.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.49 HG13 ' CH2' ' A' ' 51' ' ' TRP . 5.0 mm -81.75 141.96 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.37 -29.38 15.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.946 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.457 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -170.62 141.91 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.49 ' CH2' HG13 ' A' ' 48' ' ' ILE . 8.2 m95 -100.65 139.06 36.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 107.966 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.466 ' HG ' ' CD1' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -107.8 129.53 55.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.2 t -122.38 105.0 15.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -97.97 172.01 7.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -164.35 158.01 18.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.439 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -115.7 162.08 17.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 59.8 t -98.74 134.28 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 57' ' ' VAL . . . 36.23 -96.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 57' ' ' VAL . 1.5 p -45.47 118.87 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.3 t -120.42 81.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -168.01 167.12 39.92 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.77 167.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.15 -50.1 1.92 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -75.75 177.28 7.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.63 157.72 22.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.439 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 7.6 m95 -116.71 120.18 37.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 107.968 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.2 mt -110.2 157.75 19.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.466 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 1.2 tp -73.05 150.4 42.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.425 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.8 pt -136.06 -44.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.45 ' NE2' ' O ' ' A' ' 82' ' ' GLU . 79.5 t60 -131.73 140.0 49.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.592 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -147.44 126.45 12.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.9 tp -103.84 109.17 20.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.81 145.77 27.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.0 t30 55.24 74.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 176.11 65.23 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.32 9.83 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.67 49.49 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.405 ' O ' ' CZ ' ' A' ' 38' ' ' PHE . . . -127.79 95.79 4.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.1 -34.89 77.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.1 t -143.47 169.01 18.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.953 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.8 ptp -162.94 160.32 24.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.961 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.45 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 20.1 tt0 -87.18 143.42 27.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.3 t -114.23 93.68 31.97 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -172.56 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 48.78 67.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.484 ' CD1' HG11 ' A' ' 34' ' ' VAL . 39.8 mt -119.5 150.43 40.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -87.49 115.78 63.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 155.09 42.73 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.3 t80 48.83 41.48 18.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.7 m -147.59 135.08 20.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 57.3 m -75.14 116.0 15.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 57' ' ' VAL . 3.1 m-85 -135.81 161.83 34.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 15.4 t -119.52 173.37 7.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.031 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.465 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 86.5 m-85 -153.88 144.59 22.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.404 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -133.23 -169.04 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.354 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 14.6 mmm -140.57 160.03 40.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.404 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 33.5 mtt180 -157.59 149.46 22.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -114.76 140.64 48.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.476 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 21.5 t -130.41 128.11 63.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -135.57 179.55 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -55.93 -17.62 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.447 1.092 . . . . 0.0 109.234 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.483 ' CG1' HD21 ' A' ' 17' ' ' LEU . 93.1 t -78.56 -71.44 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.485 ' CA ' HD22 ' A' ' 17' ' ' LEU . . . -175.73 -165.39 31.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.476 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -105.94 125.35 50.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.388 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.41 ' CB ' ' CD ' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -69.42 172.95 4.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.002 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 105' ' ' SER . 18.4 Cg_endo -74.99 173.83 13.83 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.402 ' HB2' ' NH1' ' A' ' 95' ' ' ARG . 18.4 Cg_endo -75.01 139.47 24.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 t -94.27 157.09 16.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.13 132.99 1.93 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 155.83 43.15 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.412 ' HB2' ' CG1' ' A' ' 26' ' ' ILE . 14.2 p -79.08 164.87 23.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.98 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -61.85 163.31 7.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -74.21 134.75 42.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 pp -133.96 178.39 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -129.89 118.15 21.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 23.5 p -73.73 143.44 46.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.426 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 60.2 mt -60.67 171.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -87.09 145.87 26.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 t -95.47 97.29 9.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 149.37 -172.54 29.39 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 132.81 15.77 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.72 80.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 77.4 p -138.89 153.95 48.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.42 157.41 17.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.97 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.03 87.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.67 151.54 23.62 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.2 p -136.19 127.43 28.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -73.45 133.63 43.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.35 159.78 53.56 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.9 p -97.99 97.11 8.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 pt 43.45 -164.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.76 151.29 34.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.052 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.93 -56.06 1.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 110.028 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.15 81.47 0.35 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.13 125.14 89.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.774 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 147.78 34.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.468 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.4 Cg_endo -74.98 164.22 33.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.472 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 55.0 mt-10 -123.52 175.0 7.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.488 HD23 ' CA ' ' A' ' 103' ' ' GLY . 8.1 mt -79.46 150.94 74.27 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -161.49 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.52 169.66 22.24 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.138 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 117.93 5.08 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.547 1.814 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.5 20.5 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.9 p -109.96 -165.77 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.443 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 61.62 31.45 18.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.52 123.84 22.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.57 160.67 23.19 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.517 ' CG2' ' CD1' ' A' ' 29' ' ' ILE . 3.2 mm -132.12 110.83 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.68 169.43 17.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 52.77 52.2 14.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.517 ' CD1' ' CG2' ' A' ' 26' ' ' ILE . 11.7 mm -74.71 99.57 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.51 -163.3 34.62 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -53.52 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.555 1.818 . . . . 0.0 111.026 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -128.65 18.18 6.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.35 135.95 16.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.469 HG13 ' CD1' ' A' ' 86' ' ' LEU . 2.1 m -142.63 154.77 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.2 m -93.54 134.58 35.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.454 ' HG ' ' CD1' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -118.61 121.25 39.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -105.4 141.43 36.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.579 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 3.2 p90 -158.47 -170.92 3.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -150.54 131.66 7.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 100.01 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.45 -74.34 0.36 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -125.91 100.18 6.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 111.035 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.02 -42.05 62.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.07 31.18 4.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.137 . . . . 0.0 110.976 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt 65.46 32.32 9.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 109.323 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.4 t -174.38 123.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.374 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 p -49.32 155.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.562 HG13 ' CH2' ' A' ' 51' ' ' TRP . 8.0 mm -74.77 139.6 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.11 -32.78 18.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -165.2 137.4 4.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.562 ' CH2' HG13 ' A' ' 48' ' ' ILE . 18.4 m95 -98.48 125.36 43.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 108.024 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.478 ' CD1' HD13 ' A' ' 68' ' ' LEU . 3.6 tp -96.81 144.78 26.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.7 t -134.55 106.11 7.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -101.07 160.14 14.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -157.07 160.16 38.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.503 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -120.1 138.7 53.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.503 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 32.6 t -76.68 134.6 28.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 57' ' ' VAL . . . 36.98 -96.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 57' ' ' VAL . 9.9 p -41.81 122.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 97.2 t -124.26 85.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -136.55 -150.0 5.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -109.4 -51.9 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -38.3 -40.37 0.89 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.122 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' HB2' ' NE2' ' A' ' 56' ' ' GLN . 19.8 mp0 -77.43 150.6 34.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -86.89 161.48 18.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.592 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 5.8 m95 -114.48 134.69 54.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 108.019 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.5 mt -118.17 161.07 20.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.478 HD13 ' CD1' ' A' ' 52' ' ' LEU . 2.9 tp -77.65 153.72 32.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.418 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 4.5 pt -135.09 -45.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.416 ' N ' HG13 ' A' ' 69' ' ' ILE . 68.3 t60 -133.8 134.67 43.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.622 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -137.62 122.74 19.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.7 tp -103.98 113.17 26.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -100.68 160.84 14.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 73' ' ' SER . 0.8 OUTLIER 38.35 81.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.44 66.01 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.86 8.39 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -115.17 49.38 1.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -128.51 88.03 2.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.471 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 17.4 mmm-85 -61.85 -30.59 70.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.5 p -143.45 167.55 21.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.3 ptp -166.55 160.48 15.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -85.43 141.74 29.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.6 t -114.05 93.66 31.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.413 ' HD2' ' ND1' ' A' ' 70' ' ' HIS . 18.3 Cg_endo -75.03 -173.5 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.554 1.818 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 t0 50.25 67.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.469 ' CD1' HG13 ' A' ' 34' ' ' VAL . 45.3 mt -122.38 146.82 46.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.563 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 3.1 m-80 -86.19 117.9 69.48 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 154.68 42.61 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 t80 48.34 42.96 18.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 110.98 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 94.8 m -147.35 137.78 23.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 61.5 m -74.67 117.83 16.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 87' ' ' ASN . 1.2 m-85 -136.25 157.42 46.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 4.1 t -119.28 172.95 7.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.425 ' CB ' HD13 ' A' ' 36' ' ' LEU . 52.5 m-85 -156.62 141.26 16.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.592 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 8.7 ptp180 -126.72 -167.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.579 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -136.73 163.14 31.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -166.39 143.59 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -114.3 149.91 35.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.427 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 18.9 t -135.82 126.47 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 38.2 p30 -132.17 179.78 5.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -56.3 -17.95 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.476 ' CG1' HD22 ' A' ' 17' ' ' LEU . 93.3 t -80.86 -75.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.488 ' CA ' HD23 ' A' ' 17' ' ' LEU . . . -168.03 -152.45 7.59 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.427 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -118.9 125.99 50.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 0.0 110.406 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.35 172.18 0.64 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 169.35 22.77 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.407 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.0 Cg_endo -75.02 136.56 20.51 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.449 ' OG ' ' N ' ' A' ' 109' ' ' GLN . 3.7 t -93.91 178.11 5.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.449 ' N ' ' OG ' ' A' ' 108' ' ' SER . 0.6 OUTLIER -73.82 148.31 87.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 152.64 40.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.803 . . . . 0.0 111.04 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.2 p -81.15 154.39 26.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.046 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -38.63 145.3 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 137.5 58.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.476 HG21 ' CG2' ' A' ' 26' ' ' ILE . 2.7 pp -127.45 -174.95 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.416 ' N ' HD13 ' A' ' 114' ' ' ILE . 16.6 tt0 -145.08 108.28 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 11.0 p -60.78 152.05 28.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.422 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 58.4 mt -66.72 179.19 1.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -94.82 141.07 29.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.1 t -91.1 114.64 27.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.98 -166.2 33.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 115.45 4.28 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.535 1.808 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.38 154.99 21.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 42.9 p -166.75 107.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.72 102.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.94 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -172.17 169.08 5.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.018 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.07 164.42 28.4 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.21 167.3 30.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.983 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -136.07 136.55 40.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.97 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.97 167.55 29.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.3 p -109.78 57.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.769 . . . . 0.0 110.371 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mt -130.36 -65.99 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.84 83.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 110.006 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.74 136.91 20.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.61 134.01 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 p -72.21 122.32 87.07 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.536 0.786 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 147.78 34.38 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 110.968 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.461 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -75.08 158.75 41.72 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -111.51 -177.51 3.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.473 HD21 ' CG1' ' A' ' 102' ' ' VAL . 6.9 mt -85.52 152.35 57.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -165.39 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.45 169.41 23.77 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.16 5.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 155.15 42.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.7 p -124.67 -166.93 1.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 60.8 30.52 19.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.76 130.01 41.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.27 146.47 12.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 mp -115.89 129.91 71.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.0 p -129.86 164.41 24.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 50.62 51.67 16.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.38 107.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.01 -171.35 47.75 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -48.1 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.431 1.753 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -128.61 13.82 6.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.402 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -152.82 147.41 26.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.459 HG11 ' CD1' ' A' ' 86' ' ' LEU . 1.1 m -148.83 162.68 5.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.245 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.6 m -100.21 110.28 22.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 94' ' ' PHE . 2.9 tt -94.98 111.33 23.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -94.03 156.4 16.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.09 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.586 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 23.0 p90 -169.74 -171.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -157.99 134.64 6.51 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 112.44 3.56 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.45 -70.76 1.22 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -125.39 89.44 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 111.04 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -48.62 -53.44 18.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.25 44.03 0.88 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt 56.68 34.71 25.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -173.86 139.55 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.396 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -68.17 162.61 24.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.569 HG13 ' CH2' ' A' ' 51' ' ' TRP . 6.3 mm -81.58 137.12 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 m -87.64 -29.5 21.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 1.2 tmm_? -165.85 136.71 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CH2' HG13 ' A' ' 48' ' ' ILE . 24.9 m95 -97.76 132.19 43.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.479 ' CD1' HD12 ' A' ' 68' ' ' LEU . 2.9 tp -102.28 144.14 31.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.6 t -135.06 105.93 6.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -102.37 162.43 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.531 ' HA ' ' CZ3' ' A' ' 66' ' ' TRP . . . -159.85 165.1 32.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -125.14 143.24 51.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.449 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 42.9 t -79.07 130.25 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 60' ' ' VAL . . . 36.57 -97.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' VAL . 99.5 t -42.95 97.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 0.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' GLY . 50.6 t -81.57 79.51 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.54 -155.24 16.28 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.14 . . . . 0.0 110.978 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 64.98 96.51 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 0.735 . . . . 0.0 110.319 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 39.19 32.38 0.21 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.448 1.093 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -116.08 143.14 45.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.785 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -96.45 167.02 11.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.588 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 11.6 m95 -112.6 119.93 39.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 mt -109.18 157.51 18.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.479 HD12 ' CD1' ' A' ' 52' ' ' LEU . 2.4 tp -75.15 146.78 41.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 70' ' ' HIS . 4.3 pt -126.93 -43.47 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.523 ' CE1' ' HD2' ' A' ' 84' ' ' PRO . 12.3 t60 -139.06 137.77 36.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.58 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.427 ' OE1' ' NH2' ' A' ' 50' ' ' ARG . 21.1 pt20 -140.43 128.01 21.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 48.2 tp -103.8 130.49 51.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.0 m -121.19 140.59 51.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.435 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 35.1 t30 64.79 78.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.1 OUTLIER 165.3 69.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.72 20.05 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -81.9 -29.46 32.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.53 115.31 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.413 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 1.5 mpp_? -91.78 -27.44 18.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.466 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 3.5 m -143.25 162.17 36.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.964 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.508 ' HE3' ' CZ ' ' A' ' 38' ' ' PHE . 2.0 ptt? -162.7 157.61 21.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -85.09 140.02 31.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.4 t -113.89 94.4 33.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.523 ' HD2' ' CE1' ' A' ' 70' ' ' HIS . 18.2 Cg_endo -75.01 -169.05 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.446 1.761 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 51.04 69.37 0.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.459 ' CD1' HG11 ' A' ' 34' ' ' VAL . 63.9 mt -127.54 149.49 50.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -87.04 117.77 69.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 150.84 38.71 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.8 t80 55.41 41.61 30.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 87.6 m -147.57 138.07 23.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 55.2 m -75.28 125.68 29.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.289 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.449 ' CZ ' ' HA ' ' A' ' 57' ' ' VAL . 2.6 m-85 -143.38 158.81 43.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 1.7 t -119.5 174.05 6.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.456 ' CD1' ' O ' ' A' ' 93' ' ' SER . 49.8 m-85 -157.1 141.26 16.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.588 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 5.4 ptp180 -126.52 -167.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.586 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -138.5 163.07 32.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -165.89 148.67 7.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -118.58 143.25 46.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.2 t -127.44 124.84 64.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 103' ' ' GLY . 45.1 p-10 -133.09 161.85 33.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.408 ' O ' HG13 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -40.53 -33.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.473 ' CG1' HD21 ' A' ' 17' ' ' LEU . 29.2 t -65.58 -74.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.403 ' O ' ' OD1' ' A' ' 100' ' ' ASN . . . -163.49 -143.1 3.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.78 132.57 43.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 110.392 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.81 169.1 2.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 168.21 25.32 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 133.42 16.55 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.0 t -94.41 165.83 12.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.949 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -59.78 157.11 30.57 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 158.62 41.8 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.5 1.79 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.2 p -82.67 167.12 18.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.023 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -52.17 143.52 14.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 124.1 19.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.4 pp -122.78 176.23 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -140.39 109.0 5.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.32 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 73.9 p -58.21 158.55 6.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.464 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 63.8 mt -76.54 -172.81 2.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -97.9 138.9 34.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.5 t -106.57 -58.99 1.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 61.33 -170.26 9.42 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 108.9 2.82 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 91.7 p -116.84 121.26 40.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.999 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.43 116.71 32.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.044 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -160.98 143.06 12.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 0.755 . . . . 0.0 110.047 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.66 157.04 22.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.93 149.55 9.79 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -59.37 124.2 19.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 0.783 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 m -149.41 86.8 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.961 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.24 -164.75 21.29 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 t -156.88 163.69 38.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 110.418 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 tp -129.13 137.56 56.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -170.4 -58.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -149.07 128.73 13.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.32 142.77 9.24 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.449 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 40.4 t -84.22 140.15 39.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.449 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.04 147.58 33.98 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.507 1.793 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.492 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.0 168.71 24.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.459 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 44.0 mt-10 -130.5 173.86 10.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD22 ' CA ' ' A' ' 103' ' ' GLY . 9.0 mt -76.79 151.78 82.51 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -161.16 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.52 165.81 23.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 118.61 5.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.75 35.71 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.546 1.814 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.1 p -120.55 -166.05 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 m120 61.9 30.55 18.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.03 129.07 37.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.03 152.47 23.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 mm -104.04 132.42 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.1 m -138.21 164.58 28.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.964 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 41.08 59.1 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.0 mt -70.12 100.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.37 -166.93 37.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.449 1.763 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -123.6 3.7 8.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.94 144.47 35.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.414 HG12 ' CD1' ' A' ' 86' ' ' LEU . 1.5 m -144.5 175.55 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.4 m -113.98 123.56 50.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.384 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.409 HD12 ' CB ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -107.25 121.21 44.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.363 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -104.51 148.58 26.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.475 ' CG ' ' SD ' ' A' ' 96' ' ' MET . 4.2 p90 -167.07 -171.51 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -151.03 129.42 6.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 103.7 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.788 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.79 -78.05 0.16 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.499 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 22.1 t80 -123.34 107.98 12.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.48 -46.16 89.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.499 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 108.92 26.84 5.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.441 1.088 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt 65.34 34.6 8.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.6 t -169.81 115.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.4 m -46.05 149.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.568 HG13 ' CH2' ' A' ' 51' ' ' TRP . 6.3 mm -71.65 137.87 22.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.65 -33.16 25.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.525 ' NE ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -167.82 139.88 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.568 ' CH2' HG13 ' A' ' 48' ' ' ILE . 29.0 m95 -97.44 129.08 44.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 107.991 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.525 ' CD1' ' NE ' ' A' ' 50' ' ' ARG . 2.5 tp -98.69 145.03 27.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 70' ' ' HIS . 12.6 t -137.49 105.58 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.407 ' OE1' ' NH2' ' A' ' 97' ' ' ARG . 56.9 mt-10 -98.26 171.07 8.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -166.5 164.04 17.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.6 ' O ' ' CD2' ' A' ' 92' ' ' TYR . 4.7 mt-30 -122.82 161.61 23.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.5 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 45.6 t -98.68 129.67 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' VAL . . . 37.15 -98.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 57' ' ' VAL . 79.2 t -42.98 107.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.1 t -102.31 78.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 168.75 -146.66 10.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.47 153.49 27.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.28 -32.49 7.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -115.22 157.59 23.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 2.2 pt-20 -104.39 -178.32 3.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.439 ' CZ3' ' HA ' ' A' ' 55' ' ' ALA . 24.1 m95 -123.56 107.45 11.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.019 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.8 mt -112.0 161.54 16.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.244 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.476 HD12 ' CD1' ' A' ' 52' ' ' LEU . 1.8 tp -74.05 151.6 40.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.417 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 3.7 pt -134.7 -44.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CE1' ' HD2' ' A' ' 84' ' ' PRO . 12.0 t60 -136.24 141.8 43.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.643 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -144.47 134.93 24.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.285 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.1 tp -106.57 112.85 26.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.96 149.67 22.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 110.034 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 45.78 84.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 170.31 66.35 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -1.11 10.79 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -115.39 52.04 0.9 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.53 94.13 3.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.15 -29.86 68.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.9 p -143.38 161.46 38.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.7 ptp -160.92 157.15 26.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -84.85 138.09 32.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.9 t -114.24 93.49 31.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.572 ' HD2' ' CE1' ' A' ' 70' ' ' HIS . 18.3 Cg_endo -74.99 -162.8 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 40.6 73.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.414 ' CD1' HG12 ' A' ' 34' ' ' VAL . 59.6 mt -126.57 155.33 42.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -87.17 119.43 70.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 159.36 41.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CD1' ' HG2' ' A' ' 118' ' ' GLN . 0.2 OUTLIER 38.91 44.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.3 m -146.1 134.01 21.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.43 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 59.6 m -74.59 115.83 14.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 108.297 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 56' ' ' GLN . 2.2 m-85 -134.77 156.5 48.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 2.2 t -119.39 166.93 12.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.441 ' CD1' ' HB3' ' A' ' 55' ' ' ALA . 48.8 m-85 -150.6 147.64 27.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -130.53 -170.46 2.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.475 ' SD ' ' CG ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -132.33 163.03 29.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.407 ' NH2' ' OE1' ' A' ' 54' ' ' GLU . 7.5 mtt180 -168.57 144.77 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.438 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 61.6 mt-30 -114.37 149.56 35.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.468 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 53.6 t -136.39 128.23 44.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 25.9 p-10 -135.41 -179.51 5.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.22 -15.49 5.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.492 ' CG2' ' HB2' ' A' ' 15' ' ' PRO . 93.4 t -79.49 -76.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.49 ' CA ' HD22 ' A' ' 17' ' ' LEU . . . -166.19 -161.91 16.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.468 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -114.36 111.75 21.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.375 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.74 169.07 0.43 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.947 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.07 13.4 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.487 1.783 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 137.37 21.56 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.8 t -94.18 163.32 13.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.86 129.76 11.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 159.01 41.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.3 p -77.11 164.63 25.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -63.64 165.64 7.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.35 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.81 119.93 16.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.3 pp -119.89 166.62 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.6 122.69 40.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 53.1 p -80.9 153.83 27.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.6 mt -67.09 177.85 1.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.404 ' HG2' ' CD1' ' A' ' 89' ' ' PHE . 1.8 mm-40 -75.88 171.83 13.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.4 t -97.48 113.63 25.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.013 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 135.11 169.2 11.83 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 168.94 23.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.801 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.28 -56.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.71 147.99 22.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.967 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t 178.36 147.64 0.17 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 0.751 . . . . 0.0 110.015 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.4 p 179.81 108.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.7 143.97 7.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p -131.89 159.99 37.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 p -117.11 141.3 48.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.0 93.91 0.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -170.01 152.64 4.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 110.444 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pt -126.3 77.61 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.5 77.29 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m 64.27 140.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.93 164.65 21.84 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.5 p -140.67 124.11 10.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 147.69 34.05 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.497 1.788 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.455 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.1 Cg_endo -75.02 158.14 42.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.466 1.771 . . . . 0.0 110.956 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -112.85 179.32 4.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.48 HD21 ' CG1' ' A' ' 102' ' ' VAL . 8.1 mt -80.52 152.61 73.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.475 ' CG ' ' HB3' ' A' ' 98' ' ' GLN . 18.3 Cg_endo -75.02 -161.63 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.52 168.29 21.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 120.51 6.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.457 1.767 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 145.11 31.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.532 1.806 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.2 p -121.6 -165.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.389 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 61.75 31.55 18.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.74 133.55 41.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -148.86 156.28 26.76 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.466 HG23 ' CG1' ' A' ' 29' ' ' ILE . 4.7 mm -117.25 106.31 19.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.5 m -122.52 172.88 8.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 46.06 43.68 10.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.466 ' CG1' HG23 ' A' ' 26' ' ' ILE . 20.5 mt -61.99 101.76 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.5 -165.25 41.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -53.63 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.6 mtm180 -128.65 15.87 6.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.07 136.86 20.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.475 HG12 ' CD1' ' A' ' 86' ' ' LEU . 1.8 m -142.95 157.46 17.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.9 m -100.59 119.94 39.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.453 ' HG ' ' CD1' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -103.41 114.53 28.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -97.56 161.77 13.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.474 ' CE2' ' HE2' ' A' ' 96' ' ' MET . 33.8 p90 -179.73 -171.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -148.04 134.56 9.99 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.65 3.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.466 1.771 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.41 -73.65 0.71 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -128.64 113.25 15.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -64.14 -49.97 70.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.89 32.96 2.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.11 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt 60.79 37.25 18.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.274 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 t -172.12 127.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.8 p -52.89 146.08 11.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.505 HG13 ' CH2' ' A' ' 51' ' ' TRP . 6.6 mm -66.47 150.95 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.5 m -100.29 -38.53 8.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.477 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -169.5 141.0 2.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.549 ' CZ3' ' HG3' ' A' ' 98' ' ' GLN . 7.7 m95 -96.77 144.0 27.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.477 ' CD1' ' HD3' ' A' ' 50' ' ' ARG . 0.6 OUTLIER -111.74 130.29 55.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.11 108.21 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -100.58 172.91 6.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -167.94 157.28 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 59' ' ' VAL . 1.2 mt-30 -119.42 147.44 44.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 38.8 t -85.76 130.41 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 60' ' ' VAL . . . 36.4 -98.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 57' ' ' VAL . 5.4 p -46.83 96.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 58' ' ' GLY . 3.2 p -129.61 103.01 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -161.54 -111.54 0.27 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.31 120.17 23.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.96 -12.38 6.13 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -110.88 151.34 27.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 0.733 . . . . 0.0 110.313 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.95 159.47 21.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.594 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 8.7 m95 -109.93 118.02 35.34 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -100.77 153.23 19.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.459 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 6.5 tp -75.79 152.24 37.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.432 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 1.2 pt -137.93 -46.95 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.463 ' NE2' ' O ' ' A' ' 82' ' ' GLU . 78.2 t60 -129.01 149.03 51.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.624 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -154.82 125.28 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.8 tp -103.48 116.37 32.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.19 135.17 47.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 69.27 88.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 169.59 71.02 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.92 8.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.506 1.793 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -125.0 35.95 4.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -107.37 94.02 4.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -30.86 70.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 64.7 p -143.8 171.07 14.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 110.033 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.8 ptp -164.98 155.32 13.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.463 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 20.3 tt0 -83.01 137.81 33.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.461 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 6.2 t -113.51 93.86 29.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -169.15 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.1 t70 45.58 73.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.475 ' CD1' HG12 ' A' ' 34' ' ' VAL . 68.8 mt -129.22 144.5 51.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -86.39 116.1 64.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.488 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -74.95 153.86 42.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.9 t80 54.28 40.27 31.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.3 m -146.8 135.41 22.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.364 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 58.0 m -74.12 114.57 12.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 108.277 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 57' ' ' VAL . 2.6 m-85 -133.81 159.81 39.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.522 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 3.9 t -119.26 165.38 14.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.959 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -150.82 140.53 21.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.594 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 5.9 ptp180 -128.65 -168.06 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.474 ' HE2' ' CE2' ' A' ' 38' ' ' PHE . 12.1 mmm -141.68 157.61 44.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 53.1 mtt180 -150.58 157.93 43.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.549 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -123.28 134.69 54.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.492 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 40.3 t -127.74 130.65 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.4 p30 -135.78 -179.26 5.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -15.83 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.48 ' CG1' HD21 ' A' ' 17' ' ' LEU . 63.3 t -83.3 -78.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.476 ' CA ' HD22 ' A' ' 17' ' ' LEU . . . -160.88 -150.44 5.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.492 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -121.51 133.39 55.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.759 . . . . 0.0 110.392 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.401 ' CB ' ' CD ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -72.09 172.99 6.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.04 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 105' ' ' SER . 18.3 Cg_endo -75.02 173.68 14.09 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.812 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.422 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -75.0 137.47 21.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.2 t -94.2 150.76 20.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.032 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -39.47 135.3 1.18 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 157.99 42.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.3 p -82.95 145.64 29.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.002 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -44.01 161.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.01 121.95 16.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.135 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.2 pp -115.63 173.44 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.72 112.89 12.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 19.4 p -69.7 151.35 45.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.434 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 30.5 mt -64.68 175.06 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -90.32 148.04 23.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.142 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.5 t -97.0 80.18 2.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -141.44 171.1 24.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 85.95 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.782 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.18 107.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.041 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.1 t -66.48 165.25 14.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.44 165.79 27.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 0.76 . . . . 0.0 110.001 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.0 p -150.95 159.88 44.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.6 -158.61 34.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.53 158.45 4.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 p -159.83 150.56 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.36 85.02 1.01 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 p -120.28 115.78 24.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 0.0 110.396 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 tt -49.02 127.34 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 t -123.88 164.1 19.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.16 98.35 7.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.04 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.98 143.39 14.57 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.439 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 21.8 t -83.62 139.9 41.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.749 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.439 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.98 147.53 34.12 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.488 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.6 Cg_endo -74.94 163.02 36.27 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' O ' ' CG2' ' A' ' 102' ' ' VAL . 47.4 mt-10 -114.92 174.86 5.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.496 HD21 ' CG1' ' A' ' 102' ' ' VAL . 10.8 mt -76.31 152.62 83.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.472 ' CD ' HD23 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -74.98 -170.29 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.43 163.53 20.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 122.67 7.33 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.9 22.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.54 1.81 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 p -108.42 -167.68 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.458 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 m120 61.88 35.56 16.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.38 137.91 40.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.09 144.34 10.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.459 HD12 ' CD2' ' A' ' 36' ' ' LEU . 4.8 mm -105.19 114.8 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.6 p -125.3 172.28 9.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 41.47 57.01 3.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.8 mt -71.19 101.79 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.08 -166.1 35.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.445 1.091 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -49.21 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.789 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.21 16.99 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.443 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -152.83 150.01 28.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.48 HG13 ' CD1' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -151.6 171.19 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.1 m -109.46 124.29 50.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.459 ' CD2' HD12 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -105.49 126.56 52.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -110.67 159.86 17.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.541 ' CD1' ' O ' ' A' ' 79' ' ' ARG . 35.0 p90 179.68 -172.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.9 mtt85 -145.13 134.11 11.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.354 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 106.11 2.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.77 -87.67 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.573 1.171 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -111.98 104.38 12.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.82 -55.76 23.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 113.03 47.99 0.63 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt 48.09 29.17 1.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 0.732 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.43 ' CG2' ' HB2' ' A' ' 100' ' ' ASN . 0.7 OUTLIER -168.79 128.3 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.8 m -55.67 163.51 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.57 HG13 ' CH2' ' A' ' 51' ' ' TRP . 19.5 mm -84.82 143.52 11.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.09 -37.99 11.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.48 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 3.8 tmm_? -166.36 137.22 3.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CH2' HG13 ' A' ' 48' ' ' ILE . 3.6 m95 -94.01 145.65 24.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 107.981 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.48 ' CD1' ' HD3' ' A' ' 50' ' ' ARG . 1.2 tp -109.29 129.15 55.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.8 t -121.44 105.81 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.498 ' OE2' ' CZ ' ' A' ' 97' ' ' ARG . 23.0 mt-10 -99.39 176.83 5.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.415 ' HB1' ' CD1' ' A' ' 94' ' ' PHE . . . -168.5 156.8 8.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.552 ' O ' ' CD2' ' A' ' 92' ' ' TYR . 2.0 mt-30 -117.97 153.55 33.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.544 ' HA ' ' CE2' ' A' ' 92' ' ' TYR . 47.2 t -89.09 128.11 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 36.95 -95.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' VAL . 53.8 t -42.05 102.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.793 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.9 t -95.35 81.57 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 141.32 -135.58 6.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 52.23 -174.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 0.775 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.25 56.27 3.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.3 174.25 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -110.39 158.17 18.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -114.34 102.39 10.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 108.021 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.5 mt -94.65 154.91 17.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.242 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.459 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 12.1 tp -75.2 155.63 36.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.419 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 2.7 pt -134.75 -47.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 82' ' ' GLU . 41.5 t60 -130.26 142.69 50.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.607 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.408 ' OE1' ' CD2' ' A' ' 68' ' ' LEU . 15.6 pt20 -147.7 125.17 11.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.1 tp -104.55 118.94 37.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.39 139.32 44.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.3 t30 71.61 71.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.01 68.56 0.21 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 1.09 8.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.53 30.29 6.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -104.7 108.4 19.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.541 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -82.93 -29.05 29.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.8 p -143.24 170.36 15.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.7 ptp -167.42 157.81 11.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 14.2 tt0 -86.08 140.37 30.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.415 HG12 ' CD1' ' A' ' 69' ' ' ILE . 4.8 t -118.27 93.13 44.51 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -164.07 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 44.62 68.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.48 ' CD1' HG13 ' A' ' 34' ' ' VAL . 21.5 mt -119.87 161.13 21.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.465 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 4.8 m-80 -94.88 112.16 57.13 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 144.34 30.29 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.5 t80 60.77 36.08 19.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.8 m -146.89 138.58 24.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.421 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 56.6 m -74.68 132.74 41.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 108.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.552 ' CD2' ' O ' ' A' ' 56' ' ' GLN . 5.1 m-85 -151.08 161.47 42.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 27.4 p -119.49 173.63 6.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.415 ' CD1' ' HB1' ' A' ' 55' ' ' ALA . 69.1 m-85 -156.86 137.67 13.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.5 -170.6 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.534 ' HE2' ' CE2' ' A' ' 38' ' ' PHE . 11.3 mmm -140.71 160.07 40.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.498 ' CZ ' ' OE2' ' A' ' 54' ' ' GLU . 72.3 mtt180 -154.72 167.67 29.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.443 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 77.7 mt-30 -131.82 133.95 45.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.496 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 60.0 t -123.78 126.97 73.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.43 ' HB2' ' CG2' ' A' ' 46' ' ' THR . 37.2 p30 -135.58 -179.98 5.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.44 -15.87 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.496 ' CG1' HD21 ' A' ' 17' ' ' LEU . 22.0 t -80.59 -67.95 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.423 ' N ' HD21 ' A' ' 17' ' ' LEU . . . -170.43 -143.14 3.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.496 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.8 OUTLIER -125.27 143.42 50.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 110.436 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.0 p -76.71 159.13 79.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 174.39 12.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.803 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 129.86 12.69 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 t -93.5 168.76 10.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.15 136.03 39.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.48 39.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.5 p -77.44 146.12 36.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.048 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -44.94 152.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 136.12 56.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 pp -132.73 -179.36 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.2 121.23 23.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 41.6 p -75.36 148.67 39.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.424 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.6 mt -69.8 173.6 6.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -83.32 145.43 29.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.0 t -89.63 91.66 8.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 162.13 -175.9 38.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 178.92 6.64 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.801 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.63 168.42 27.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.02 135.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -140.95 167.21 22.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 0.748 . . . . 0.0 110.031 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.9 p -63.75 132.14 50.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.009 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.94 144.81 18.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -171.78 167.43 6.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m 64.64 146.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.25 135.09 12.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.5 t -108.06 129.72 55.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 110.401 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -57.22 137.09 19.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.4 t -115.51 121.99 44.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.037 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.43 -55.89 3.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.047 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.04 -167.26 15.9 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.76 128.41 84.01 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.582 0.813 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 147.68 34.21 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.488 1.783 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.458 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.0 154.6 42.6 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.444 1.76 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 42.8 mt-10 -109.3 -176.24 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.494 HD23 ' CG1' ' A' ' 102' ' ' VAL . 8.6 mt -85.93 154.3 58.02 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -165.27 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.14 163.92 22.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.548 1.155 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.85 6.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 135.14 18.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.8 p -114.36 -166.3 1.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 60.99 29.19 18.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.47 134.29 48.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.99 145.9 14.5 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.477 HG21 ' CG1' ' A' ' 29' ' ' ILE . 4.8 mm -104.25 115.66 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.754 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.5 m -125.23 172.7 9.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 40.29 51.81 2.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.477 ' CG1' HG21 ' A' ' 26' ' ' ILE . 11.3 mt -68.37 100.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -84.96 -168.9 45.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -50.11 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -125.88 8.94 7.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.5 p -146.54 145.19 30.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.453 HG11 ' CD1' ' A' ' 86' ' ' LEU . 1.9 m -146.48 160.69 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.2 m -102.17 115.6 30.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.442 HD23 ' CD1' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -100.88 118.59 37.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -104.09 139.67 38.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.54 ' CE2' ' HE3' ' A' ' 96' ' ' MET . 28.3 p90 -151.4 -175.91 5.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -149.73 133.23 8.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 114.3 3.99 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.62 -73.03 0.81 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.125 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.499 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 13.5 t80 -124.6 97.03 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -46.53 -49.56 18.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.499 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 105.86 40.55 1.98 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt 55.94 30.1 15.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.786 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -170.89 133.6 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -59.98 160.29 8.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.513 HG13 ' CH2' ' A' ' 51' ' ' TRP . 7.2 mm -79.39 146.1 8.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.411 ' N ' HG21 ' A' ' 48' ' ' ILE . 0.5 OUTLIER -93.27 -35.83 12.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.444 ' CD ' HD11 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -164.91 145.67 7.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.513 ' CH2' HG13 ' A' ' 48' ' ' ILE . 24.4 m95 -102.13 135.51 43.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 107.978 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -106.83 134.23 50.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.7 t -123.56 114.43 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -110.35 160.75 16.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -154.94 164.48 38.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.488 ' OE1' ' CB ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -126.54 135.16 50.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.505 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 28.4 t -71.7 135.61 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.45 ' O ' ' CG2' ' A' ' 60' ' ' VAL . . . 36.94 -95.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' VAL . 76.5 t -40.1 127.29 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 93.6 t -132.39 79.41 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -179.13 167.32 37.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -39.96 159.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 0.756 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.99 -42.11 2.0 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.15 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.488 ' CB ' ' OE1' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -94.04 153.36 18.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.759 . . . . 0.0 110.273 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.56 156.34 16.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.249 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.559 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 19.8 m95 -103.18 118.33 36.55 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.7 mt -107.38 156.57 18.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 8.5 tp -75.56 152.68 37.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.453 HD11 ' CB ' ' A' ' 55' ' ' ALA . 8.6 pt -135.88 -48.27 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.536 ' CE1' ' HD2' ' A' ' 84' ' ' PRO . 14.2 t60 -136.26 157.79 45.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -148.82 160.64 43.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.417 HD23 ' CD1' ' A' ' 51' ' ' TRP . 24.5 tp -134.96 106.39 6.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.56 147.1 25.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 0.3 OUTLIER 52.48 87.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER 165.98 70.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -26.22 11.16 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.77 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -77.04 -37.19 55.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -41.1 127.23 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.21 -23.67 11.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.8 p -143.14 159.5 42.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.017 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.402 ' HE1' ' CE1' ' A' ' 38' ' ' PHE . 5.8 ptp -156.01 159.14 38.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -93.28 138.18 31.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.6 t -113.96 93.84 31.4 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.536 ' HD2' ' CE1' ' A' ' 70' ' ' HIS . 18.3 Cg_endo -75.0 -165.78 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.464 1.77 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 42.61 75.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.453 ' CD1' HG11 ' A' ' 34' ' ' VAL . 62.3 mt -129.34 148.79 51.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -87.33 113.63 54.83 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.428 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -75.02 157.18 42.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.521 1.801 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.0 t80 53.57 40.08 30.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 90.4 m -147.74 137.76 22.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.441 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 60.7 m -74.84 115.29 14.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 108.308 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.505 ' CZ ' ' HA ' ' A' ' 57' ' ' VAL . 1.1 m-85 -135.7 158.41 44.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 94.5 p -119.63 171.69 8.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.408 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 65.2 m-85 -156.62 131.57 9.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.559 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 5.0 ptp180 -120.68 -168.7 1.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.244 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.54 ' HE3' ' CE2' ' A' ' 38' ' ' PHE . 17.3 mmm -141.31 159.58 41.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.18 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -153.58 154.02 33.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -117.85 144.08 45.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.425 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 41.4 t -136.06 129.07 46.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 35.0 p-10 -134.36 179.63 6.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.16 -17.8 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.494 ' CG1' HD23 ' A' ' 17' ' ' LEU . 58.7 t -82.19 -79.78 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.461 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -161.45 -150.82 6.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.425 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -118.66 146.07 44.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 110.384 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.42 ' CB ' ' CD ' ' A' ' 106' ' ' PRO . 0.4 OUTLIER -82.37 174.01 6.72 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.986 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 105' ' ' SER . 18.3 Cg_endo -75.02 173.24 14.85 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.799 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.411 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -74.95 136.73 20.9 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 109' ' ' GLN . 2.6 t -94.14 145.09 24.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 108' ' ' SER . 2.2 mp0 -37.66 140.34 0.52 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.57 34.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.791 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 79.7 p -77.54 146.42 36.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 112' ' ' ARG . 23.0 mtm105 -39.33 146.81 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -66.34 117.35 8.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 pp -109.3 173.12 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -127.73 109.91 12.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 19.7 p -61.51 153.95 25.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.447 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 55.4 mt -65.98 172.68 3.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -89.24 145.53 25.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.1 t -110.48 -56.36 2.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.45 -166.76 30.74 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 59.76 5.24 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.43 131.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.58 130.74 53.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.99 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m 59.63 168.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 t -103.91 147.64 27.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.989 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.8 168.38 11.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.53 127.18 31.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -121.13 -56.02 1.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.976 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.26 168.36 25.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.5 p -138.71 140.05 38.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 0.721 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.37 137.71 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 49.83 84.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.44 -57.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.53 147.06 9.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.421 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 38.2 t -76.2 139.62 68.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.421 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.99 147.79 34.46 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.498 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -75.0 162.17 37.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -116.33 173.94 6.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.486 HD23 ' CG1' ' A' ' 102' ' ' VAL . 11.6 mt -78.16 154.79 79.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.452 ' CG ' ' HB2' ' A' ' 98' ' ' GLN . 18.5 Cg_endo -74.98 -161.41 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.454 1.765 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.47 169.44 23.44 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.18 4.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 140.6 25.56 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.79 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.6 p -113.51 -165.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 64.49 26.06 13.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.02 128.16 35.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.4 147.18 16.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.474 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 26.2 mm -99.73 121.03 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 m -127.17 167.89 15.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 41.07 54.67 3.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.5 mt -68.7 100.22 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -84.97 -168.82 45.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -48.11 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -128.98 10.25 5.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.418 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 1.1 p -147.35 148.47 31.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.032 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.475 HG13 ' CD1' ' A' ' 86' ' ' LEU . 1.1 m -149.72 164.1 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.7 m -107.28 113.24 26.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.429 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.474 ' HG ' ' CD1' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -96.98 129.06 44.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -111.12 143.81 41.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 35.3 p90 -157.58 -171.45 3.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -157.87 132.71 5.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 111.39 3.31 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.39 -72.03 0.85 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.494 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 10.6 t80 -129.37 86.71 2.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.06 -58.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.494 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 115.18 58.52 0.35 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt 43.45 34.42 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.7 t -173.53 141.89 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.7 m -73.35 163.56 27.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.561 HG13 ' CH2' ' A' ' 51' ' ' TRP . 7.5 mm -81.2 137.29 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.2 m -85.01 -27.91 26.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.471 ' CD ' HD11 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -170.24 138.77 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.561 ' CH2' HG13 ' A' ' 48' ' ' ILE . 46.0 m95 -95.66 135.44 37.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.472 ' HG ' ' CD1' ' A' ' 68' ' ' LEU . 1.6 tp -106.2 134.22 49.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.8 t -127.88 105.78 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -99.83 169.68 9.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.548 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . . . -167.02 162.29 15.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.431 ' NE2' ' O ' ' A' ' 64' ' ' GLU . 7.3 mt-30 -121.97 148.52 44.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 43.8 t -88.76 127.13 41.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 38.77 -95.2 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.551 1.157 . . . . 0.0 111.032 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' VAL . 46.9 t -50.77 99.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 p -126.91 108.04 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.58 -90.74 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -144.34 -51.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 0.0 110.27 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -43.73 -47.64 7.51 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.431 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 1.3 mt-10 -72.42 148.9 44.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -88.61 168.76 12.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.52 ' CH2' ' HB3' ' A' ' 93' ' ' SER . 10.2 m95 -116.49 117.21 29.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 107.985 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 mt -107.18 158.32 17.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.472 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 1.7 tp -74.43 142.17 44.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.403 HG13 ' N ' ' A' ' 70' ' ' HIS . 4.0 pt -124.35 -42.02 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.431 ' CE1' ' HD2' ' A' ' 84' ' ' PRO . 13.3 t60 -139.82 142.06 36.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.581 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -144.72 133.94 22.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.448 ' CD2' ' CB ' ' A' ' 78' ' ' ALA . 23.8 tp -106.9 118.34 36.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.0 m -103.54 150.0 24.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.978 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 46.98 81.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 171.64 67.65 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -17.24 19.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -84.48 -22.26 30.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.586 1.179 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.448 ' CB ' ' CD2' ' A' ' 72' ' ' LEU . . . -58.33 108.84 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -88.56 -23.54 23.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.9 p -143.29 163.05 34.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.6 ptp -162.85 157.7 21.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.414 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 24.3 tt0 -89.65 138.74 31.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.1 t -115.4 93.65 36.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.431 ' HD2' ' CE1' ' A' ' 70' ' ' HIS . 18.2 Cg_endo -74.99 -165.01 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.792 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 46.98 65.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 34' ' ' VAL . 72.4 mt -124.09 146.36 48.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.516 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 4.0 m120 -86.17 116.74 66.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 151.56 39.93 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.539 1.81 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.433 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 38.9 t80 54.92 42.31 31.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.1 m -147.77 139.12 23.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 62.9 m -74.64 118.89 18.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 108.304 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.516 ' CE1' ' HB2' ' A' ' 87' ' ' ASN . 1.8 m-85 -136.35 151.8 49.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.52 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 0.6 OUTLIER -119.56 160.4 22.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.548 ' CD1' ' HB3' ' A' ' 55' ' ' ALA . 62.7 m-85 -143.96 156.11 44.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.408 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 5.5 ptp180 -139.86 -169.74 2.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.573 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -135.38 164.38 27.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -167.65 144.57 4.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.452 ' HB2' ' CG ' ' A' ' 18' ' ' PRO . 35.7 mt-30 -113.81 148.27 36.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.4 t -135.45 126.55 44.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.354 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -135.67 -178.67 5.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -11.9 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.498 ' CG2' ' HB2' ' A' ' 15' ' ' PRO . 97.7 t -80.27 -72.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.433 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -163.92 -145.16 4.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.452 1.095 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.6 109.43 10.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 110.396 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.4 p -53.08 160.84 1.42 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 109.978 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.78 13.92 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.94 25.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.456 1.767 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 t -94.48 165.89 12.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.08 136.83 57.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 153.46 41.7 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.788 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.4 p -80.25 164.33 23.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.053 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -53.36 151.65 5.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 119.85 12.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.2 pp -112.94 168.08 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -126.47 108.07 10.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 36.6 p -57.82 157.86 7.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.439 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.4 mt -67.68 175.83 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -92.42 147.43 22.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.8 t -90.58 136.88 32.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.027 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -171.44 -166.47 30.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.434 1.084 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.13 25.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.1 t 64.69 160.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.019 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.67 104.26 16.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -173.36 157.04 3.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 0.758 . . . . 0.0 110.032 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 p -40.25 119.76 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.03 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.31 -138.89 3.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 t -123.97 -57.95 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.017 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.94 95.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.961 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.71 -121.61 0.29 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -106.6 154.86 20.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 0.736 . . . . 0.0 110.426 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.5 pp -84.1 160.13 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.0 m -96.21 148.89 22.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.981 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.7 t -61.66 -50.23 73.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.02 -138.36 8.57 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.5 p -106.18 122.23 42.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.7 34.33 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.495 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -74.98 167.06 27.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.448 ' N ' HG23 ' A' ' 102' ' ' VAL . 47.7 mt-10 -119.74 175.97 5.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.491 HD23 ' CG1' ' A' ' 102' ' ' VAL . 10.5 mt -76.83 153.61 83.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.47 ' CD ' HD22 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.05 -161.13 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.544 1.813 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -134.0 168.86 23.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.15 5.17 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.477 1.777 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 136.58 20.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.1 p -112.48 -167.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 62.54 30.04 17.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.51 147.64 45.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.0 137.25 2.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.459 HG23 ' CG2' ' A' ' 34' ' ' VAL . 5.3 mp -111.78 117.49 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.3 t -122.91 166.93 14.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.088 . . . . 0.0 109.966 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 58.72 42.63 19.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.4 mt -64.28 121.17 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -100.12 -155.55 27.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -57.41 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.769 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -130.28 24.12 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.77 136.85 16.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.484 HG11 ' CD1' ' A' ' 86' ' ' LEU . 1.8 m -144.41 163.6 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 m -104.59 123.68 47.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.67 129.92 47.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -113.63 155.72 24.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -178.47 -177.33 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -149.82 134.98 9.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 109.81 3.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.63 -71.89 0.93 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.511 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 12.1 t80 -125.52 100.67 6.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.79 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -55.03 -51.43 66.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.511 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 110.63 33.61 2.42 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.483 1.114 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt 61.56 35.61 17.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -172.16 123.93 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.366 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 m -55.8 147.78 18.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.535 HG13 ' CH2' ' A' ' 51' ' ' TRP . 7.4 mm -67.0 144.78 14.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.6 t -92.02 -31.98 15.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.485 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -169.59 140.25 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.535 ' CH2' HG13 ' A' ' 48' ' ' ILE . 23.0 m95 -96.16 136.7 36.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.042 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.485 ' CD1' ' HD3' ' A' ' 50' ' ' ARG . 0.9 OUTLIER -107.76 130.32 54.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.7 t -122.41 104.97 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.471 ' HB2' ' CG ' ' A' ' 95' ' ' ARG . 9.5 mt-10 -104.45 159.14 15.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -148.83 164.0 35.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.583 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 4.1 mt-30 -120.08 143.08 48.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.147 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.601 ' HA ' ' CE1' ' A' ' 92' ' ' TYR . 1.6 p -89.24 132.44 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 60' ' ' VAL . . . 37.26 -96.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 57' ' ' VAL . 12.2 p -45.95 97.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 58' ' ' GLY . 79.1 t -100.98 78.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 151.53 -145.79 13.93 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 55.01 -174.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.79 53.51 4.05 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -104.05 174.13 6.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.747 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -108.08 164.27 12.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.622 ' CD2' ' CZ ' ' A' ' 95' ' ' ARG . 5.4 m95 -114.91 107.01 14.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 108.034 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mt -88.21 151.48 22.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 9.1 tp -78.14 153.31 32.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.43 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 3.8 pt -133.2 -48.32 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.453 ' NE2' ' O ' ' A' ' 82' ' ' GLU . 41.1 t60 -129.29 151.28 50.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.597 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -155.95 127.45 7.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.3 tp -104.01 109.39 21.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.14 155.75 16.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.5 t30 40.95 77.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 176.97 64.95 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.316 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.78 8.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -115.44 50.48 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.08 108.12 9.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -76.5 -33.5 58.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.5 p -143.3 168.55 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -165.72 158.46 15.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.453 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 23.5 tt0 -84.56 139.9 31.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.4 t -113.66 94.12 31.24 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -164.77 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 t70 44.63 65.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.484 ' CD1' HG11 ' A' ' 34' ' ' VAL . 42.3 mt -120.41 142.16 49.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 0.7 OUTLIER -88.12 113.61 55.71 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.483 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.4 Cg_endo -74.96 146.15 32.48 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.2 t80 68.71 37.4 2.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.57 HG23 ' CE2' ' A' ' 92' ' ' TYR . 86.0 m -148.12 138.03 22.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.353 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 69.2 m -77.07 117.43 18.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 108.299 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.601 ' CE1' ' HA ' ' A' ' 57' ' ' VAL . 4.2 m-85 -136.51 162.12 33.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.604 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 73.8 m -119.48 -176.92 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 93' ' ' SER . 52.2 m-85 -156.77 127.36 6.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.622 ' CZ ' ' CD2' ' A' ' 66' ' ' TRP . 5.8 ptp180 -127.14 144.78 50.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.401 ' HE1' ' CE3' ' A' ' 51' ' ' TRP . 17.4 mmm -97.19 160.07 14.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -156.6 148.54 22.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -114.37 148.18 38.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.44 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 91.9 t -139.53 124.54 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.422 ' ND2' HG22 ' A' ' 102' ' ' VAL . 31.1 p30 -133.09 -179.77 5.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.48 -13.55 8.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.495 ' CG2' ' HB2' ' A' ' 15' ' ' PRO . 24.8 t -79.95 -70.16 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -165.74 -150.19 6.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.44 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -126.9 101.66 6.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 110.408 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 p -42.44 163.31 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.08 13.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 140.19 25.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.5 t -94.3 166.9 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.74 137.74 24.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.56 42.13 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.452 ' CB ' ' CD1' ' A' ' 26' ' ' ILE . 53.3 p -75.66 167.03 22.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.954 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -64.27 159.51 20.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 113.57 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -107.54 -174.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -147.55 109.54 4.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 18.1 p -66.51 144.44 56.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.369 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 39.2 mt -64.16 176.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -86.96 150.8 23.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.4 t -88.69 136.93 32.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.003 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -122.84 159.42 17.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -57.61 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 58.4 m 63.93 104.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.019 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.36 125.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.96 -58.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 0.747 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.1 p -40.37 142.26 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.59 -177.64 28.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.28 122.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -150.39 -59.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.032 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.18 130.82 8.36 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.561 1.163 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.0 p -80.87 92.01 6.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 110.454 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp 64.25 121.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.77 -55.94 1.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -163.46 126.97 2.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.72 173.63 0.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.461 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 60.2 t -109.57 141.37 23.47 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.461 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 147.65 34.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.491 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.05 161.0 39.32 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.406 ' N ' HG23 ' A' ' 102' ' ' VAL . 48.9 mt-10 -117.3 176.89 4.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.475 HD23 ' CA ' ' A' ' 103' ' ' GLY . 8.3 mt -77.65 152.17 80.46 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -161.58 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.49 167.32 20.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 120.0 5.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 145.25 31.05 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.518 1.799 . . . . 0.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.0 p -120.48 -168.07 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.365 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 63.29 24.93 14.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.12 133.57 49.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.32 142.42 7.71 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.555 1.16 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mp -111.05 129.37 66.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.3 m -130.19 168.97 15.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 50.28 43.47 26.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.4 mt -56.69 110.2 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.08 -169.62 46.13 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -44.15 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -134.05 10.8 3.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.3 139.78 24.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.971 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 86' ' ' LEU . 2.4 m -140.92 165.28 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 m -106.87 110.12 22.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.368 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 tt -92.76 116.0 28.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -99.97 142.58 31.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.565 ' CE1' ' O ' ' A' ' 79' ' ' ARG . 20.6 p90 -157.18 179.26 9.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -145.72 129.79 8.66 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 115.29 4.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.81 . . . . 0.0 110.966 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.33 -78.72 0.54 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -127.41 124.49 38.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.26 -59.34 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.13 36.75 1.19 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.6 mttt 79.27 3.0 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 t -153.52 126.08 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.397 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.2 m -55.18 -175.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.454 HG13 ' CH2' ' A' ' 51' ' ' TRP . 5.3 mm -94.62 147.93 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.49 -26.63 13.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.471 ' CD ' HD11 ' A' ' 52' ' ' LEU . 3.7 tmm_? -169.94 142.26 2.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.454 ' CH2' HG13 ' A' ' 48' ' ' ILE . 19.8 m95 -99.37 129.13 45.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.018 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.478 ' HG ' ' CD1' ' A' ' 68' ' ' LEU . 2.9 tp -102.25 126.43 49.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 36.4 t -116.76 106.61 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' OE1' ' NH2' ' A' ' 97' ' ' ARG . 39.5 mt-10 -100.43 163.82 12.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.539 ' HA ' ' CZ3' ' A' ' 66' ' ' TRP . . . -162.62 160.26 25.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.46 146.82 45.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.51 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 45.3 t -81.07 133.03 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 57' ' ' VAL . . . 35.03 -100.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.4 p -40.56 103.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.0 t -89.98 77.75 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.85 -148.06 17.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.551 1.157 . . . . 0.0 111.042 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 67.09 65.47 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 110.265 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 49.76 43.75 38.65 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -120.17 128.14 53.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.3 169.31 14.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.539 ' CZ3' ' HA ' ' A' ' 55' ' ' ALA . 5.6 m95 -114.48 128.43 56.33 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mt -107.74 154.97 20.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.478 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 9.1 tp -76.92 154.52 33.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 70' ' ' HIS . 6.2 pt -135.06 -46.88 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.421 ' N ' HG13 ' A' ' 69' ' ' ILE . 57.5 t60 -132.2 135.46 46.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.615 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -140.2 118.46 12.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.3 tp -103.95 117.28 33.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 m -104.73 148.04 27.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.434 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 71.5 m-80 59.89 87.03 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER 164.63 68.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.27 7.95 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -101.82 -43.28 5.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -43.42 111.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.565 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -91.7 -26.26 18.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.348 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.53 160.2 41.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.965 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.477 ' HE2' ' CE1' ' A' ' 38' ' ' PHE . 2.0 ptt? -163.95 160.64 22.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -82.91 142.79 31.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.9 t -117.78 93.75 44.58 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.418 ' HD2' ' ND1' ' A' ' 70' ' ' HIS . 18.1 Cg_endo -74.98 -163.91 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.444 1.76 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 t0 48.51 65.47 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.468 ' CD1' HG13 ' A' ' 34' ' ' VAL . 84.6 mt -125.82 150.45 47.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -88.55 120.54 70.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.481 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -75.03 139.99 24.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.0 t80 61.91 46.1 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 78.1 m -148.07 136.59 21.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.344 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 61.6 m -74.48 124.54 26.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 108.288 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.51 ' CZ ' ' HA ' ' A' ' 57' ' ' VAL . 2.1 m-85 -143.53 162.55 35.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.517 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 4.6 t -119.46 173.31 7.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.983 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 93' ' ' SER . 45.9 m-85 -157.17 140.75 15.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.25 -168.86 2.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.509 ' HE2' ' CE2' ' A' ' 38' ' ' PHE . 18.9 mmm -142.56 159.58 41.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.416 ' NH2' ' OE1' ' A' ' 54' ' ' GLU . 17.4 mtt180 -157.16 150.54 24.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -115.69 141.72 47.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.406 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 78.9 t -128.82 125.24 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -131.21 -179.53 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -13.49 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.491 ' CG2' ' HB2' ' A' ' 15' ' ' PRO . 93.4 t -81.05 -80.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.475 ' CA ' HD23 ' A' ' 17' ' ' LEU . . . -156.56 -155.52 7.46 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.406 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -119.72 103.58 9.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.783 . . . . 0.0 110.457 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.23 165.89 0.13 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.041 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 174.41 12.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.475 1.776 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 139.18 23.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.5 t -94.4 158.3 15.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -47.01 137.57 7.81 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.54 42.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.79 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 p -77.43 174.67 10.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.038 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -69.09 168.42 13.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.62 121.37 18.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 pp -117.96 170.16 7.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -134.16 120.1 19.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.347 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.6 p -75.37 156.81 35.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 20.5 mt -73.98 178.05 5.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -93.6 148.71 21.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.1 t -110.02 139.23 45.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.994 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 137.36 167.43 11.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 77.76 3.07 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.77 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -157.08 137.37 12.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.73 138.49 36.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.03 161.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.1 99.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.068 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.32 -133.67 39.13 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -179.02 103.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 0.813 . . . . 0.0 110.006 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.29 156.24 47.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.009 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.85 121.77 1.33 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.4 p -117.8 84.37 2.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 110.397 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.1 mt 63.72 74.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.5 p -98.07 77.89 2.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.67 92.18 4.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.22 171.28 35.11 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.54 134.05 23.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 147.81 34.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.422 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.5 Cg_endo -74.96 156.39 43.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -111.88 167.98 9.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD22 ' CG1' ' A' ' 102' ' ' VAL . 8.2 mt -77.01 153.81 82.75 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.411 ' CD ' HD21 ' A' ' 17' ' ' LEU . 18.5 Cg_endo -74.97 -176.89 3.1 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.443 1.759 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.56 173.66 18.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.26 5.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 156.94 42.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.773 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.5 p -125.2 -165.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.42 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.3 m120 61.44 34.44 18.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.342 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.49 132.11 36.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -145.66 159.44 27.92 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.473 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 15.7 mm -124.4 104.44 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.54 172.61 10.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 46.69 52.79 10.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.4 mt -77.89 101.53 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.92 -158.87 29.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.429 1.081 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -56.9 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.523 1.801 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -126.96 21.59 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.427 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 0.8 OUTLIER -151.45 143.2 23.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.471 HG11 ' CD1' ' A' ' 86' ' ' LEU . 2.2 m -151.23 153.27 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.0 m -95.43 129.58 42.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' HG ' ' CD1' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -114.6 119.48 36.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -99.73 141.46 32.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.592 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 30.0 p90 -156.04 -179.59 8.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -148.5 136.0 10.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 106.75 2.34 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.31 -45.0 32.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -157.78 97.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -59.41 -57.34 13.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.346 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.66 41.56 0.29 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt 49.82 28.46 2.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 0.0 109.298 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 47' ' ' SER . 7.5 t -156.96 24.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 46' ' ' THR . 6.3 t 43.64 -166.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.53 HG13 ' CZ3' ' A' ' 51' ' ' TRP . 25.2 mm -113.23 144.85 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.424 ' N ' HG21 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -96.08 -34.57 11.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.465 ' CD ' HD11 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -159.57 137.88 10.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.53 ' CZ3' HG13 ' A' ' 48' ' ' ILE . 18.5 m95 -97.12 124.11 41.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 107.98 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.483 ' CD1' HD12 ' A' ' 68' ' ' LEU . 3.4 tp -95.85 143.43 27.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.0 t -134.14 114.01 18.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -108.23 169.49 8.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -163.47 161.56 24.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.4 137.91 54.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.245 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 29.4 t -76.07 134.99 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' VAL . . . 36.42 -98.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.573 1.171 . . . . 0.0 111.027 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 57' ' ' VAL . 3.1 p -41.1 118.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 72.1 t -120.05 80.04 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -167.72 174.92 42.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -52.29 175.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 110.32 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.98 -44.98 3.41 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.138 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.23 154.14 23.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 0.774 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -91.78 165.07 13.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.601 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 11.3 m95 -118.35 113.1 20.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.002 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.3 mt -102.67 158.2 16.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.483 HD12 ' CD1' ' A' ' 52' ' ' LEU . 2.4 tp -73.19 151.03 41.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.43 HG13 ' N ' ' A' ' 70' ' ' HIS . 7.0 pt -132.19 -44.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.43 ' N ' HG13 ' A' ' 69' ' ' ILE . 79.9 t60 -136.01 137.05 40.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -142.13 124.61 15.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.7 tp -106.75 124.18 49.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.3 OUTLIER -108.64 163.13 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 0.8 OUTLIER 38.93 83.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER 166.48 67.86 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -26.88 10.47 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.461 1.769 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -69.92 -35.98 74.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -48.87 116.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -97.12 -21.32 17.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.299 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.2 p -143.27 165.15 28.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.06 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.435 ' HE1' ' CE1' ' A' ' 38' ' ' PHE . 3.1 ptt? -169.81 162.14 9.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -89.37 145.26 25.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 110.342 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.0 t -114.14 93.59 31.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 85' ' ' ASP . 18.2 Cg_endo -74.99 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.462 1.769 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' PRO . 21.8 t0 40.13 69.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.471 ' CD1' HG11 ' A' ' 34' ' ' VAL . 19.7 mt -122.29 150.58 42.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -87.58 115.29 62.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.72 43.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.402 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 35.1 t80 47.75 42.34 15.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.953 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.4 m -147.43 136.4 22.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 57.0 m -74.4 114.08 12.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 108.256 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.528 ' CZ ' ' HA ' ' A' ' 57' ' ' VAL . 2.2 m-85 -135.34 158.3 44.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 110.968 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 4.0 t -119.54 177.12 5.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.401 ' CG ' ' C ' ' A' ' 93' ' ' SER . 59.6 m-85 -156.8 135.13 11.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.601 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 5.6 ptp180 -122.63 -170.35 2.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.592 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -131.61 166.36 21.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.441 ' HD3' ' CG2' ' A' ' 104' ' ' THR . 6.6 mtt180 -170.25 143.97 2.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -113.81 138.47 50.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.495 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 55.5 t -127.75 120.56 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 103' ' ' GLY . 34.4 p-10 -123.68 174.34 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 1.2 tt -54.89 -18.87 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.449 ' CG1' HD22 ' A' ' 17' ' ' LEU . 38.2 t -80.44 -73.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' ' OD1' ' A' ' 100' ' ' ASN . . . -164.09 -144.29 3.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.431 1.082 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.495 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -130.59 148.15 52.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.767 . . . . 0.0 110.408 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.408 ' CB ' ' CD ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -82.05 173.78 7.1 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.984 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 105' ' ' SER . 18.4 Cg_endo -75.01 168.09 25.6 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.477 1.777 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.407 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -75.02 136.1 19.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.1 t -94.8 149.44 21.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.8 147.84 0.39 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 149.26 36.28 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.0 p -77.61 155.5 31.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.028 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -43.66 149.35 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.44 139.11 51.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 pp -139.57 176.09 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.6 118.87 20.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.5 p -68.96 149.8 48.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 110.398 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 54.1 mt -68.02 173.24 4.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -86.88 136.42 32.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.8 t -74.3 158.02 34.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.045 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -179.81 176.47 47.53 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 58.87 5.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.448 1.762 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.45 122.57 30.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.031 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.16 -58.01 2.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.48 -52.86 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 0.737 . . . . 0.0 109.968 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m 52.97 80.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.24 -78.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -64.45 166.5 8.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 110.02 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 p -68.7 166.77 16.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.65 -144.06 5.03 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.2 p -122.02 -44.22 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.41 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 mt -75.8 -63.39 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.9 p -174.68 150.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.2 85.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.21 -156.11 1.1 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 62.4 t -114.49 141.74 27.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 147.93 34.57 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.432 1.754 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.491 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -75.04 161.42 38.66 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.462 ' O ' ' CG2' ' A' ' 102' ' ' VAL . 43.7 mt-10 -111.59 175.74 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.487 HD21 ' CG1' ' A' ' 102' ' ' VAL . 12.2 mt -77.76 154.96 80.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.471 ' CD ' HD23 ' A' ' 17' ' ' LEU . 18.5 Cg_endo -74.98 -166.37 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.541 1.811 . . . . 0.0 111.053 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.34 164.82 20.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 120.11 5.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.97 37.39 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.465 1.771 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.7 p -124.85 -166.3 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.359 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 m120 61.49 31.7 18.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.67 133.07 42.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.22 153.56 24.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.48 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 10.5 mm -110.61 117.51 55.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.9 t -129.48 166.13 20.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 42.2 55.79 3.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.452 ' CG1' HG22 ' A' ' 26' ' ' ILE . 8.5 mt -71.27 100.55 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.74 -168.57 39.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -50.04 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -128.64 11.28 6.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.09 139.04 23.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.451 HG12 ' CD1' ' A' ' 86' ' ' LEU . 1.5 m -143.69 161.86 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 m -106.37 120.1 40.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.48 ' HG ' ' CD1' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -106.94 122.61 46.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -101.11 143.03 31.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.529 ' CE2' ' HE1' ' A' ' 96' ' ' MET . 11.3 p90 -154.22 -174.73 5.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -149.87 130.65 7.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 109.87 3.01 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.45 -54.53 25.84 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.443 1.09 . . . . 0.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.565 ' CE2' ' HA2' ' A' ' 44' ' ' GLY . 47.9 t80 -157.61 137.69 12.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -81.48 -61.52 1.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.565 ' HA2' ' CE2' ' A' ' 42' ' ' TYR . . . 119.81 33.81 1.04 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 44' ' ' GLY . 5.3 mttt 89.09 -22.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.8 t -127.85 130.57 48.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.0 p -55.59 -179.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.451 HG13 ' CH2' ' A' ' 51' ' ' TRP . 19.7 mm -90.84 146.12 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.2 m -98.17 -27.67 14.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.483 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -171.22 143.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.451 ' CH2' HG13 ' A' ' 48' ' ' ILE . 13.2 m95 -99.64 143.61 29.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.005 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.483 ' CD1' ' HD3' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -112.49 133.21 54.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.2 t -127.51 104.8 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -101.13 164.64 11.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -151.34 163.86 37.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -120.14 140.24 51.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 59' ' ' VAL . 26.3 t -80.44 128.21 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.474 ' O ' ' CG2' ' A' ' 60' ' ' VAL . . . 36.78 -96.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 57' ' ' VAL . 98.4 t -40.77 107.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 84.3 t -111.39 79.27 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -169.74 168.93 41.73 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.37 170.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.47 -48.66 3.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.72 164.04 25.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.71 157.68 16.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.602 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 8.5 m95 -111.26 114.37 27.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 107.968 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.8 mt -104.54 158.44 16.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.474 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 5.2 tp -78.05 152.49 32.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.438 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 3.4 pt -136.99 -47.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.487 ' CE1' ' O ' ' A' ' 82' ' ' GLU . 85.5 t60 -127.65 140.22 52.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.611 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -149.19 124.84 10.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.3 tp -103.55 114.34 28.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 74' ' ' ASN . 3.6 m -98.18 155.53 17.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 73' ' ' SER . 3.5 t30 40.21 84.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 173.07 65.05 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -2.51 12.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.468 1.772 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.05 48.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.07 99.52 6.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -65.04 -36.55 84.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.238 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.4 p -143.74 167.71 21.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.48 ' HE2' ' CZ ' ' A' ' 38' ' ' PHE . 3.9 ptp -160.28 157.93 28.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.487 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 12.8 tt0 -87.87 140.14 29.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.253 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.4 t -114.09 93.58 30.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.423 ' HD2' ' ND1' ' A' ' 70' ' ' HIS . 18.3 Cg_endo -75.0 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.6 t70 44.86 63.75 1.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.451 ' CD1' HG12 ' A' ' 34' ' ' VAL . 17.3 mt -120.38 140.79 50.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -86.29 114.2 56.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.489 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.2 Cg_endo -75.02 150.2 37.72 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.426 1.751 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.6 t80 62.58 36.99 13.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.1 m -147.71 136.28 21.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.389 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 57.4 m -74.61 114.04 12.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.281 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.409 ' OH ' ' CG2' ' A' ' 57' ' ' VAL . 1.3 m-85 -133.46 160.42 37.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -119.13 175.27 5.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 93' ' ' SER . 58.6 m-85 -154.41 141.83 19.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.602 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 4.5 ptp180 -130.97 -169.93 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.529 ' HE1' ' CE2' ' A' ' 38' ' ' PHE . 22.5 mmm -141.24 159.9 41.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -160.11 155.68 25.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -119.5 136.06 54.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.7 t -124.48 121.23 61.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.442 ' ND2' HG21 ' A' ' 102' ' ' VAL . 36.2 p30 -132.86 179.56 6.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.27 -15.14 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.491 ' CG2' ' HB2' ' A' ' 15' ' ' PRO . 19.9 t -80.25 -63.71 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.422 ' N ' HD21 ' A' ' 17' ' ' LEU . . . -177.37 -151.29 9.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.52 114.75 21.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 0.0 110.427 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.22 166.05 0.45 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 173.94 13.63 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.418 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.3 Cg_endo -75.01 136.81 20.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 t -93.97 164.31 13.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.057 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.05 132.62 22.92 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 152.67 41.38 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.487 1.782 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.1 p -79.02 159.0 27.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.023 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -57.58 157.41 7.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.97 114.0 4.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 pp -107.25 166.29 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -122.14 116.09 23.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 p -72.87 150.81 42.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.386 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.489 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 36.0 mt -65.34 174.4 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -90.27 148.52 22.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 t -101.74 145.03 29.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 117.65 163.45 12.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.138 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 57.37 4.54 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.3 t -40.29 141.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.54 81.48 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.972 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -97.94 163.48 12.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 0.798 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 p -46.64 112.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.03 120.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.507 1.13 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 p -158.4 82.59 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 0.731 . . . . 0.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.18 149.77 40.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.58 104.9 0.47 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 t -103.43 151.43 22.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 110.449 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.6 mt -94.51 104.5 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.27 -22.57 32.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.051 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.9 t -153.62 -59.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.986 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.82 -116.85 0.83 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.463 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 39.7 t -116.45 140.5 26.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.463 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.05 147.33 33.59 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.532 1.806 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 164.21 33.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 75.5 mm-40 -122.43 -179.32 4.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.473 HD22 ' CG1' ' A' ' 102' ' ' VAL . 7.3 mt -82.26 152.84 68.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -163.11 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.477 1.777 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.25 169.31 21.79 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.92 4.73 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 142.87 28.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.77 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.7 p -121.65 -165.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m120 64.86 25.42 12.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.32 137.15 52.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -148.91 163.94 29.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.466 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 4.9 mm -127.04 105.41 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 98.5 p -121.36 172.87 7.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 41.59 54.03 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.46 ' CG1' HG22 ' A' ' 26' ' ' ILE . 27.5 mt -71.28 101.27 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.51 -168.58 42.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.29 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -135.3 12.39 3.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.16 139.65 23.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.957 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 86' ' ' LEU . 1.4 m -144.02 164.67 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.2 m -106.14 116.11 31.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.466 ' HG ' ' CD1' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -101.88 116.32 32.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -99.71 142.4 31.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.452 ' CE1' ' HE1' ' A' ' 81' ' ' MET . 29.8 p90 -154.03 178.51 9.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.06 131.64 10.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.344 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 106.84 2.35 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.04 -63.5 3.79 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -136.2 101.28 4.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 0.732 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.53 -50.51 71.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.67 43.77 1.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt 54.85 32.97 18.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.9 t -170.59 126.78 0.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.415 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.1 m -59.1 147.99 32.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.41 HG13 ' CH2' ' A' ' 51' ' ' TRP . 7.3 mm -65.86 141.8 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.9 -28.63 17.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.97 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.441 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -168.42 141.54 3.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.237 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.41 ' CH2' HG13 ' A' ' 48' ' ' ILE . 32.5 m95 -98.94 135.22 40.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 108.008 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.47 ' HG ' ' CD1' ' A' ' 68' ' ' LEU . 1.2 tp -106.58 130.54 54.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.8 t -125.11 104.76 13.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.456 ' OE2' ' N ' ' A' ' 68' ' ' LEU . 3.3 mt-10 -98.85 166.4 11.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -162.57 155.3 19.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.454 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 1.5 mt-30 -116.75 131.9 56.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 46.5 t -72.04 133.57 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.48 -95.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 57' ' ' VAL . 7.4 p -52.64 98.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.411 ' CG2' ' HB2' ' A' ' 93' ' ' SER . 3.3 p -126.63 80.07 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -153.17 167.37 31.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.03 111.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 110.334 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 147.79 -38.16 1.07 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.41 178.35 5.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -104.66 170.05 8.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.596 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 8.3 m95 -120.14 133.23 55.56 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.0 mt -119.27 154.56 33.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.47 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 1.2 tp -75.87 149.71 37.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.43 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 3.5 pt -134.46 -45.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.569 ' CD2' ' O ' ' A' ' 82' ' ' GLU . 28.8 t60 -130.69 139.82 50.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.592 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -146.16 128.43 15.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.8 tp -103.59 116.56 32.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.6 m -99.39 154.77 17.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 40.49 84.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 169.91 66.3 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -20.0 17.23 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -77.41 -37.21 52.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -43.92 116.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -27.25 17.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.246 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.8 p -143.1 162.88 34.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.452 ' HE1' ' CE1' ' A' ' 38' ' ' PHE . 3.5 ptt? -164.42 162.11 21.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.569 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 13.3 tt0 -89.86 146.09 24.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.465 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 11.1 t -116.97 94.21 43.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.422 ' HD2' ' ND1' ' A' ' 70' ' ' HIS . 18.4 Cg_endo -74.98 -163.27 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 47.22 60.08 3.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.473 ' CD1' HG12 ' A' ' 34' ' ' VAL . 58.3 mt -119.39 142.69 47.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -87.13 121.42 71.49 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 154.59 42.72 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.6 t80 49.65 42.59 23.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 99.6 m -147.65 138.21 23.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.432 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 58.8 m -74.37 120.37 19.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 108.308 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 57' ' ' VAL . 2.0 m-85 -139.4 156.78 46.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.16 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.498 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 0.4 OUTLIER -119.35 171.32 8.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.051 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.422 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 79.7 m-85 -154.37 144.91 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.596 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 6.2 ptp180 -133.3 -172.55 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 22.9 mmm -140.23 159.73 41.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -155.7 163.73 39.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -128.39 128.17 43.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.514 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 23.6 t -118.49 127.95 75.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 103' ' ' GLY . 47.6 p-10 -133.98 178.03 7.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.409 ' O ' HG13 ' A' ' 101' ' ' ILE . 0.1 OUTLIER -53.01 -34.48 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.473 ' CG1' HD22 ' A' ' 17' ' ' LEU . 85.4 t -65.29 -75.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.464 ' CA ' HD23 ' A' ' 17' ' ' LEU . . . -162.3 -154.59 7.62 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.514 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -118.0 129.94 55.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.764 . . . . 0.0 110.374 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.7 166.55 7.26 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 173.8 13.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.413 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -74.97 135.9 19.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.448 1.762 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.9 t -94.26 167.76 11.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.965 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -55.46 134.41 70.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.263 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 153.47 41.46 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.0 p -78.6 145.86 34.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -45.38 156.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 110.282 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 115.93 4.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.1 pp -106.14 172.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -131.85 108.88 9.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 70.1 p -66.47 167.15 11.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 23.1 mt -82.65 176.72 9.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -93.51 147.58 22.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.359 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.8 t -104.25 90.32 3.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -144.49 179.37 21.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 168.43 24.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.5 t -127.2 96.69 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.0 p -116.87 122.74 45.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -164.58 136.74 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 110.01 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.53 116.11 2.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.11 -132.28 6.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.21 104.92 5.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 109.98 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -176.91 160.45 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.98 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.09 -134.34 11.73 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.1 p -62.7 177.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.379 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 tt -93.34 145.23 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.2 t -111.73 -62.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 m 74.43 -68.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.26 123.4 32.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.7 p -66.45 134.06 94.45 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.44 33.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.474 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.4 Cg_endo -74.97 160.42 40.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.443 1.759 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.462 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 77.6 mm-40 -116.31 177.39 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.481 HD22 ' CG1' ' A' ' 102' ' ' VAL . 7.4 mt -77.65 150.77 79.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.494 ' CG ' ' HB3' ' A' ' 98' ' ' GLN . 18.2 Cg_endo -75.03 -165.56 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.92 168.76 21.18 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 119.47 5.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 135.85 19.54 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.481 1.78 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.4 p -109.56 -166.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.368 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 61.47 30.86 19.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.42 131.18 41.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -150.31 146.78 16.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.493 HD11 ' CD2' ' A' ' 94' ' ' PHE . 3.3 mm -113.68 106.66 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.749 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.6 m -120.17 172.25 7.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 47.35 53.99 10.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.2 mt -75.1 100.88 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.36 -160.41 29.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -50.31 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.09 12.78 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.434 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 2.5 m -143.19 146.1 33.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.453 HG12 ' CD1' ' A' ' 86' ' ' LEU . 1.5 m -151.64 160.33 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.6 m -99.09 133.85 42.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.424 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' HG ' ' CD1' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -115.41 132.16 56.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -120.52 140.75 51.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.498 ' CE2' ' HE3' ' A' ' 96' ' ' MET . 11.5 p90 -156.07 -171.12 3.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.6 mtt85 -153.69 133.71 7.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 105.8 2.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.449 1.762 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.35 -65.18 3.43 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.479 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 8.1 t80 -142.7 91.91 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' TYR . 61.5 m-20 -40.37 -61.72 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.479 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 121.7 37.93 0.64 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 58.33 36.7 25.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -171.43 118.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 p -47.04 146.94 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.579 HG13 ' CH2' ' A' ' 51' ' ' TRP . 5.5 mm -65.75 143.73 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.428 ' N ' HG23 ' A' ' 48' ' ' ILE . 0.5 OUTLIER -90.55 -39.31 12.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.038 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -171.2 141.88 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.579 ' CH2' HG13 ' A' ' 48' ' ' ILE . 4.9 m95 -97.18 137.82 35.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 107.995 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.464 ' HG ' ' CD1' ' A' ' 68' ' ' LEU . 1.2 tp -107.76 128.57 54.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -121.52 106.2 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -101.91 171.57 7.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -161.4 158.65 27.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -116.65 158.66 23.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 59' ' ' VAL . 93.3 t -96.18 127.61 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 60' ' ' VAL . . . 36.55 -95.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 57' ' ' VAL . 53.7 t -41.17 98.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' GLY . 65.8 t -98.37 84.83 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -125.82 176.55 17.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -92.47 -22.94 19.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.266 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.23 -40.48 99.11 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.28 136.77 36.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.488 ' HG3' ' CD2' ' A' ' 67' ' ' LEU . 1.7 pt-20 -62.77 -177.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.43 ' CD1' ' NH2' ' A' ' 95' ' ' ARG . 8.2 m95 -126.95 128.89 47.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 107.982 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.488 ' CD2' ' HG3' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -103.74 149.51 24.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.464 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 3.1 tp -76.7 151.04 36.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.43 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 6.6 pt -136.42 -45.67 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.443 ' NE2' ' O ' ' A' ' 82' ' ' GLU . 69.8 t60 -130.81 139.48 50.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.631 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -147.58 123.22 10.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.0 tp -103.76 116.71 32.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 m -103.29 154.5 19.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.997 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.403 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 8.9 t-20 48.14 84.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER 167.59 70.71 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -23.38 13.82 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.504 1.792 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.32 -37.32 60.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -42.58 130.04 4.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.1 mmt-85 -112.93 -23.84 9.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.8 p -143.41 152.53 41.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.965 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -156.69 158.07 36.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.443 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 14.8 tt0 -88.14 146.84 25.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.8 t -119.38 92.99 46.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -164.42 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.0 t0 43.88 67.46 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 11.7 mt -118.63 150.65 39.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -86.44 113.68 53.77 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.7 42.83 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.519 1.8 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 t80 49.54 38.99 15.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.0 m -146.47 136.26 23.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.418 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 57.6 m -75.25 114.32 13.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 108.339 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.429 ' OH ' ' CG2' ' A' ' 57' ' ' VAL . 2.0 m-85 -131.76 159.74 37.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 22.8 p -119.51 171.28 8.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.52 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 64.2 m-85 -151.78 143.48 23.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.43 ' NH2' ' CD1' ' A' ' 66' ' ' TRP . 4.3 ptp180 -132.1 -172.46 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.259 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.498 ' HE3' ' CE2' ' A' ' 38' ' ' PHE . 15.3 mmm -137.89 160.29 39.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.417 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 71.2 mtt180 -154.14 148.94 26.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.494 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -117.56 127.9 54.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.507 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 59.2 t -120.97 130.36 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 43.0 p30 -135.02 -179.93 5.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.22 -16.77 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.481 ' CG1' HD22 ' A' ' 17' ' ' LEU . 43.7 t -82.17 -79.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.45 ' CA ' HD23 ' A' ' 17' ' ' LEU . . . -159.48 -149.16 5.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.507 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 1.0 OUTLIER -125.66 131.57 52.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.456 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.98 172.05 6.37 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.959 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 174.01 13.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.418 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.5 Cg_endo -75.02 137.82 22.18 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.502 1.79 . . . . 0.0 111.046 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 t -94.03 156.64 16.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.76 136.52 2.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 151.14 38.97 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.487 1.783 . . . . 0.0 111.047 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.0 p -76.92 140.82 40.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.961 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 65.3 mtt-85 -39.39 155.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 115.26 7.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 pp -110.3 177.01 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -128.27 127.0 41.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 110.317 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.9 p -84.58 146.1 27.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.431 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 33.0 mt -68.99 173.32 5.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -79.23 144.59 34.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t -79.76 159.92 26.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 89.73 -165.21 31.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.433 1.083 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 175.03 11.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.2 t -163.72 164.56 23.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 92.3 p -116.05 134.56 54.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.18 154.96 21.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 110.023 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 p -159.57 155.7 26.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.99 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.73 173.72 24.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 t -162.2 132.67 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 109.943 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -152.73 94.89 1.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.946 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.31 132.55 7.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -121.39 152.37 39.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 0.788 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 tt -95.42 120.28 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.4 t -172.29 -55.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.93 108.48 4.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.55 122.17 1.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 p -92.9 126.67 50.61 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.79 34.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.488 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -74.93 167.42 27.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' N ' HG22 ' A' ' 102' ' ' VAL . 74.6 mm-40 -122.4 -176.33 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.504 HD23 ' CG1' ' A' ' 102' ' ' VAL . 7.7 mt -84.99 151.06 56.82 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.45 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.54 164.7 21.66 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 118.29 5.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.66 19.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.772 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.9 p -111.46 -166.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.382 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 62.19 36.46 14.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.26 132.12 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -153.3 147.55 17.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.491 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 22.8 mm -101.32 116.27 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.6 p -128.07 167.64 16.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 109.969 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 41.69 53.18 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.461 ' CG1' HG22 ' A' ' 26' ' ' ILE . 6.2 mt -70.47 100.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.91 -165.66 37.85 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -55.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -123.21 -1.63 8.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.16 129.8 34.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.473 HG11 ' CD1' ' A' ' 86' ' ' LEU . 3.2 m -133.39 168.54 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.7 m -114.64 131.77 56.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.491 ' HG ' ' CD1' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -114.19 126.12 54.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -104.34 146.63 28.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -165.71 -169.77 1.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtt85 -147.58 131.8 8.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 101.47 1.47 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.52 -77.93 0.15 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -125.49 108.01 11.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -59.41 -40.2 85.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.79 34.52 3.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt 59.2 31.47 21.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 0.736 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.4 t -166.31 128.59 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.8 p -53.5 149.06 8.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 109.99 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.461 HG13 ' CH2' ' A' ' 51' ' ' TRP . 10.8 mm -75.04 136.68 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 t -83.63 -39.75 19.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.456 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -166.87 141.53 4.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.461 ' CH2' HG13 ' A' ' 48' ' ' ILE . 5.8 m95 -97.44 142.72 28.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 108.014 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.456 ' CD1' ' HD3' ' A' ' 50' ' ' ARG . 1.0 OUTLIER -109.04 136.77 48.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.9 t -129.61 105.02 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -101.87 159.68 15.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -148.55 164.32 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.438 ' CD ' ' NE1' ' A' ' 66' ' ' TRP . 2.0 tt0 -122.87 138.25 54.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 28.3 t -77.47 125.85 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.445 ' O ' ' CG2' ' A' ' 60' ' ' VAL . . . 36.98 -95.86 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.542 1.151 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' VAL . 3.1 p -39.99 101.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.557 0.798 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 78.2 t -103.09 80.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -138.74 -153.25 6.12 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -100.08 -46.65 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -37.75 -47.16 1.73 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.414 ' HG3' ' CG1' ' A' ' 59' ' ' VAL . 2.4 mm-40 -77.17 150.54 35.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 0.737 . . . . 0.0 110.339 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.36 166.83 18.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.523 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 7.0 m95 -116.59 108.46 15.98 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -99.37 155.49 17.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.425 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 13.0 tp -75.32 154.2 37.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.432 ' CG1' ' N ' ' A' ' 70' ' ' HIS . 2.2 pt -135.7 -48.31 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.532 ' CE1' ' O ' ' A' ' 82' ' ' GLU . 85.7 t60 -127.19 147.4 50.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.621 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -156.17 123.21 5.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.422 HD22 ' CB ' ' A' ' 78' ' ' ALA . 29.9 tp -103.6 114.85 29.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.5 133.92 45.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 t30 68.65 83.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.67 71.03 0.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 1.05 8.17 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -127.18 38.48 4.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.422 ' CB ' HD22 ' A' ' 72' ' ' LEU . . . -110.56 79.73 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -54.75 -30.31 56.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.097 . . . . 0.0 110.269 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.9 p -143.3 174.31 10.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.1 ptp -168.35 160.35 11.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 111.051 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.532 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 13.8 tt0 -87.55 139.3 30.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.2 t -113.45 94.35 31.37 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -165.46 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 40.42 72.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.473 ' CD1' HG11 ' A' ' 34' ' ' VAL . 76.3 mt -122.97 149.9 43.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -86.26 117.45 68.71 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 151.52 39.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 46.5 44.03 12.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 98.0 m -147.41 139.64 24.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 41.4 m -76.57 126.38 30.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 108.259 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 57' ' ' VAL . 1.9 m-85 -144.83 164.86 29.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.569 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 1.6 t -119.51 173.65 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 93' ' ' SER . 54.3 m-85 -157.1 132.37 9.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.523 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -122.47 -167.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 18.9 mmm -143.25 158.2 43.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -159.39 154.21 24.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.46 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 62.5 mt-30 -118.56 141.61 48.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.8 126.13 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -134.18 -179.5 5.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -61.06 -13.13 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.504 ' CG1' HD23 ' A' ' 17' ' ' LEU . 64.9 t -83.07 -82.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.474 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -159.11 -168.03 20.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.33 115.22 29.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.733 . . . . 0.0 110.369 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.86 169.08 0.93 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.952 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 174.25 13.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 140.15 25.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.554 1.818 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.8 p -94.02 161.7 14.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -44.91 129.39 5.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.97 41.43 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.5 p -83.86 154.83 23.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -53.85 159.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.61 126.22 29.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.3 pp -117.55 164.66 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.62 113.49 22.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 42.3 p -72.55 153.78 41.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 110.364 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.55 179.45 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -66.37 170.17 6.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 p -79.75 133.45 36.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.0 177.61 9.13 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 124.05 8.35 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.461 1.769 . . . . 0.0 111.014 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.86 -55.15 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.2 m 60.43 161.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.564 1.165 . . . . 0.0 111.023 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.29 100.97 13.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.98 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 p 54.08 170.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.41 -133.8 1.9 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -156.07 109.18 2.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 0.725 . . . . 0.0 109.992 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.03 171.61 14.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.16 -163.44 38.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.2 p -90.07 69.4 7.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.759 . . . . 0.0 110.388 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -119.8 164.66 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.58 104.37 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.63 108.53 4.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.17 71.1 0.91 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 p -47.27 125.52 9.23 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 147.87 34.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.484 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -75.06 164.99 32.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' CG2' ' A' ' 102' ' ' VAL . 55.4 mt-10 -115.62 175.61 5.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.479 HD23 ' CG1' ' A' ' 102' ' ' VAL . 11.1 mt -76.73 154.33 83.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.472 ' CD ' HD22 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.0 -169.72 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.556 1.819 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 42' ' ' TYR . . . -124.33 163.87 17.94 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.58 6.13 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.433 1.754 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 142.56 27.87 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.554 1.818 . . . . 0.0 110.961 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 p -118.33 -168.7 1.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 60.12 36.03 21.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.39 147.53 39.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.57 135.88 2.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.523 ' CD1' ' CB ' ' A' ' 111' ' ' SER . 5.3 mp -104.33 131.38 53.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.789 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.8 p -132.99 165.6 24.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 54.26 46.13 25.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.458 ' CG1' HG23 ' A' ' 26' ' ' ILE . 49.7 mt -64.19 113.61 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.91 -160.79 36.87 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -52.75 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -129.07 13.21 6.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -145.75 142.89 29.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.967 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.469 HG12 ' CD1' ' A' ' 86' ' ' LEU . 1.5 m -146.38 172.36 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.3 m -112.45 122.42 47.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.365 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.77 125.09 49.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -107.04 156.06 19.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.472 ' CE2' ' HE3' ' A' ' 96' ' ' MET . 24.1 p90 -175.53 -170.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -155.92 133.85 6.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 112.8 3.65 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.527 1.804 . . . . 0.0 111.03 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.08 -72.89 0.92 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t80 -127.72 98.41 5.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.789 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.27 -51.18 59.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.0 50.71 0.67 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt 48.41 36.17 6.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 t -172.28 138.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 m -68.97 150.74 47.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.571 HG13 ' CH2' ' A' ' 51' ' ' TRP . 4.8 mm -72.14 137.89 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.26 -31.31 23.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.029 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.472 ' CD ' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -170.69 140.55 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.571 ' CH2' HG13 ' A' ' 48' ' ' ILE . 14.4 m95 -97.47 130.04 44.61 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.489 ' CD1' HD13 ' A' ' 68' ' ' LEU . 2.7 tp -99.94 138.15 37.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.5 t -128.27 105.07 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.464 ' OE2' ' CZ ' ' A' ' 97' ' ' ARG . 35.5 mt-10 -98.48 172.85 7.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -166.06 162.57 17.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.545 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -121.75 144.64 48.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.515 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 49.3 t -79.05 129.56 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.445 ' O ' ' CG2' ' A' ' 60' ' ' VAL . . . 36.26 -96.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' VAL . 73.6 t -40.07 115.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 97.4 t -117.25 77.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -169.1 170.74 42.68 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -45.71 168.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.12 -46.87 2.65 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.96 154.4 21.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -95.99 160.15 14.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.545 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 8.8 m95 -110.06 120.18 41.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 107.991 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.1 mt -109.26 157.82 18.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.489 HD13 ' CD1' ' A' ' 52' ' ' LEU . 1.1 tp -74.84 149.96 39.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.424 HD11 ' CD2' ' A' ' 86' ' ' LEU . 4.3 pt -133.95 -43.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.459 ' NE2' ' O ' ' A' ' 82' ' ' GLU . 69.4 t60 -135.42 144.02 46.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.598 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -146.8 129.61 16.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.402 HD23 ' CB ' ' A' ' 78' ' ' ALA . 31.7 tp -104.14 106.42 16.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 m -96.08 146.26 24.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 50.46 82.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 169.74 66.58 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.24 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.46 8.89 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.66 54.77 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.402 ' CB ' HD23 ' A' ' 72' ' ' LEU . . . -127.27 99.72 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.441 ' NH1' ' HB2' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -64.7 -36.51 84.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.4 p -143.41 170.77 15.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.463 ' HE2' ' CZ ' ' A' ' 38' ' ' PHE . 3.2 ptt? -164.91 157.59 16.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.459 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 19.5 tt0 -85.01 138.67 32.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.9 t -113.74 94.19 31.91 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -165.49 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.804 . . . . 0.0 111.035 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.2 t70 40.41 75.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' A' ' 34' ' ' VAL . 36.7 mt -126.87 153.78 45.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -87.28 113.79 55.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 153.25 41.73 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.8 t80 48.39 40.98 15.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.8 m -147.44 139.31 24.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 33.1 m -74.52 131.66 41.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 108.347 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.515 ' CZ ' ' HA ' ' A' ' 57' ' ' VAL . 1.8 m-85 -151.2 163.46 38.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.549 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 4.5 t -119.58 175.5 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 93' ' ' SER . 54.7 m-85 -157.25 135.7 11.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.428 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -129.07 -176.25 3.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.472 ' HE3' ' CE2' ' A' ' 38' ' ' PHE . 15.2 mmm -133.86 160.31 38.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.464 ' CZ ' ' OE2' ' A' ' 54' ' ' GLU . 59.1 mtt180 -156.48 157.41 35.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.254 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.408 ' HB2' ' CG ' ' A' ' 18' ' ' PRO . 38.9 mt-30 -123.53 131.5 53.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.463 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 90.0 t -121.35 124.11 71.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.8 p30 -132.89 -179.31 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.95 -13.41 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 15' ' ' PRO . 20.1 t -82.03 -71.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.425 ' N ' HD23 ' A' ' 17' ' ' LEU . . . -166.02 -149.69 6.01 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.557 1.161 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.463 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -125.29 111.02 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 0.0 110.385 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 p -50.39 162.89 0.49 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.99 13.57 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.407 ' HB2' ' NH1' ' A' ' 95' ' ' ARG . 18.4 Cg_endo -74.96 137.54 21.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.9 t -94.26 158.75 15.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -39.81 132.47 1.44 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.17 43.0 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.523 ' CB ' ' CD1' ' A' ' 26' ' ' ILE . 80.7 p -77.17 163.8 26.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -65.63 162.41 18.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.68 116.24 6.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 pp -111.4 179.22 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -138.98 125.94 21.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 32.7 p -85.4 149.83 25.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 23.7 mt -71.96 176.24 5.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -84.63 141.6 30.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 t -75.62 -66.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.06 171.51 35.15 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.27 40.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.552 1.817 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 m -128.83 96.61 4.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.22 119.18 19.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.8 p -96.67 168.4 10.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -146.26 157.86 43.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.584 1.177 . . . . 0.0 109.964 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.84 -120.85 0.7 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.142 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.53 167.78 12.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -146.46 121.91 10.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' C ' ' CG2' ' A' ' 8' ' ' THR . . . -96.04 -110.76 2.59 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.413 ' CG2' ' C ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER 39.06 88.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.741 . . . . 0.0 110.404 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 pp -86.7 120.08 35.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.4 m -135.4 138.88 43.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 110.032 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.73 115.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 13' ' ' VAL . . . -44.36 108.3 0.18 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.125 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.488 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 59.9 t 60.97 143.73 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.488 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.93 148.05 35.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.467 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.1 Cg_endo -75.08 163.53 34.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.794 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 83.0 mt-10 -122.38 174.55 6.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.48 HD22 ' CG1' ' A' ' 102' ' ' VAL . 8.4 mt -76.91 151.48 82.1 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.405 ' CG ' ' HB3' ' A' ' 98' ' ' GLN . 18.0 Cg_endo -75.05 -161.88 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.42 167.1 21.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 120.75 6.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.777 . . . . 0.0 111.04 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 142.72 28.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.5 p -118.87 -166.15 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.413 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 m120 65.28 18.11 11.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.69 125.75 25.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.02 150.98 23.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.438 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 5.0 mm -108.04 112.96 42.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.0 m -129.09 171.92 11.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 44.7 46.07 8.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.406 ' CG1' HG22 ' A' ' 26' ' ' ILE . 7.3 mt -60.14 116.36 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.08 -167.27 28.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -67.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.475 1.776 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -116.17 12.99 15.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.28 130.28 11.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.491 HG13 ' CD1' ' A' ' 86' ' ' LEU . 2.1 m -130.71 178.75 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.4 m -118.31 110.88 18.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.408 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.453 HD11 ' CB ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -93.69 116.92 29.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -96.26 148.92 22.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.534 ' CG ' ' SD ' ' A' ' 96' ' ' MET . 5.7 p90 -166.51 -170.58 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -153.74 131.44 6.22 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 105.09 2.02 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.41 -93.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -107.13 104.72 14.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 0.804 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -54.01 -42.89 69.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.4 31.73 3.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt 63.1 28.12 15.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 t -165.87 127.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.6 p -48.95 165.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.965 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.557 HG13 ' CH2' ' A' ' 51' ' ' TRP . 5.4 mm -85.66 145.04 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.422 ' N ' HG22 ' A' ' 48' ' ' ILE . 9.7 p -95.1 -41.05 9.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.477 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -164.16 143.98 7.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.557 ' CH2' HG13 ' A' ' 48' ' ' ILE . 18.3 m95 -99.17 139.78 34.32 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.477 ' CD1' ' HD3' ' A' ' 50' ' ' ARG . 0.7 OUTLIER -111.57 129.65 56.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.7 t -121.24 104.91 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -101.43 161.51 13.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.517 ' HA ' ' CZ3' ' A' ' 66' ' ' TRP . . . -163.6 163.72 24.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.547 ' O ' ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -121.51 160.82 23.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.27 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 92' ' ' TYR . 45.8 t -97.51 132.14 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.449 ' O ' ' CG2' ' A' ' 60' ' ' VAL . . . 37.71 -95.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' VAL . 73.3 t -42.57 118.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 81.5 t -119.05 81.0 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -149.52 158.33 27.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -34.74 70.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.344 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -42.06 -35.22 1.62 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -99.94 168.64 9.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -96.21 169.08 10.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.532 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 5.4 m95 -117.38 121.98 42.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.026 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mt -109.2 151.9 25.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.424 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 7.4 tp -76.05 151.44 37.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.458 ' CG1' ' N ' ' A' ' 70' ' ' HIS . 1.1 pt -133.98 -49.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.458 ' N ' ' CG1' ' A' ' 69' ' ' ILE . 51.6 t60 -123.07 154.53 38.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.591 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -162.29 125.3 2.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.262 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 73' ' ' SER . 43.2 tp -103.4 130.53 50.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.484 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.6 OUTLIER -54.9 -166.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.987 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.484 ' C ' ' O ' ' A' ' 73' ' ' SER . 1.7 m120 -34.38 -87.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' ASN . 0.1 OUTLIER 38.03 69.2 1.53 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.67 11.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -110.56 33.54 4.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.14 108.04 12.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.478 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -86.18 -25.81 25.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.0 p -143.14 159.82 41.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.8 ptp -155.36 157.94 37.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -86.11 138.28 32.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.447 HG12 ' CB ' ' A' ' 70' ' ' HIS . 3.8 t -114.08 93.4 30.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -165.87 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.442 1.759 . . . . 0.0 111.031 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 44.43 66.95 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.491 ' CD1' HG13 ' A' ' 34' ' ' VAL . 31.5 mt -122.2 153.73 38.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.467 ' OD1' ' CZ ' ' A' ' 92' ' ' TYR . 4.1 m120 -85.78 115.45 61.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 142.61 28.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.8 t80 56.73 42.7 26.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.7 m -147.85 141.34 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.382 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 64.3 m -74.28 128.36 35.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 108.32 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.547 ' CD2' ' O ' ' A' ' 56' ' ' GLN . 1.7 m-85 -146.69 150.15 34.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -119.23 150.02 40.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.457 ' CD1' ' HB1' ' A' ' 55' ' ' ALA . 56.1 m-85 -134.19 157.28 46.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.532 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 5.8 ptp180 -139.45 -167.53 2.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.534 ' SD ' ' CG ' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -137.93 159.44 42.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -159.01 143.65 15.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.405 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -114.32 146.62 40.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.502 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 59.3 t -136.3 130.51 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 36.3 p-10 -135.23 -178.84 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.407 ' O ' HG13 ' A' ' 101' ' ' ILE . 0.6 OUTLIER -59.38 -14.59 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.238 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.48 ' CG1' HD22 ' A' ' 17' ' ' LEU . 96.5 t -81.97 -82.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.459 ' CA ' HD23 ' A' ' 17' ' ' LEU . . . -151.66 -158.68 8.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.502 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -118.48 101.33 8.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 0.737 . . . . 0.0 110.399 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.8 163.69 0.14 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.82 13.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.03 28.48 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 t -94.74 169.98 9.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.13 134.3 68.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 153.04 41.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.44 1.758 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.4 p -79.78 158.06 26.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.5 ptt-85 -56.04 155.54 6.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.75 120.13 13.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.9 pp -112.98 173.45 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -127.47 108.38 10.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 60.8 p -65.37 163.47 15.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.386 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 36.1 mt -73.56 175.16 7.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -89.06 154.09 20.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.5 t -117.1 99.24 6.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -160.69 173.48 37.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 150.11 37.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.4 t 71.85 124.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.97 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.17 117.31 8.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.054 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.09 -64.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 1' ' ' GLY . 35.2 p -120.26 164.99 15.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.17 120.6 9.75 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -156.17 124.96 5.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.26 99.28 8.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.26 -174.15 16.11 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.7 t -151.95 147.36 26.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.369 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.6 mt -114.65 -65.21 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.0 p 61.52 107.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.8 t -48.11 140.97 6.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.005 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.74 111.27 2.97 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.57 125.74 30.25 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.489 0.758 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.26 35.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.536 1.809 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.465 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.4 Cg_endo -74.95 171.39 18.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 42.3 mt-10 -127.18 176.65 7.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.494 HD21 ' CG1' ' A' ' 102' ' ' VAL . 9.6 mt -76.55 153.07 83.59 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.452 ' CD ' HD23 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -74.99 -171.91 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.495 1.787 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 42' ' ' TYR . . . -123.29 163.62 16.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 128.15 11.28 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.473 1.775 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 146.71 32.97 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.2 p -114.13 -175.61 2.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 m120 60.89 35.76 19.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.18 132.65 44.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -172.4 139.69 5.38 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.496 ' CD1' ' CB ' ' A' ' 111' ' ' SER . 4.9 mp -108.59 129.94 62.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.488 0.758 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.9 p -129.57 171.42 12.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.041 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 48.44 42.59 18.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.411 ' CG1' HG21 ' A' ' 26' ' ' ILE . 6.9 mt -56.38 112.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.13 -166.68 42.3 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -50.91 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -129.55 14.98 6.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.83 138.39 19.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.046 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 86' ' ' LEU . 2.7 m -139.01 171.69 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 m -111.53 111.08 21.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.393 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 94' ' ' PHE . 3.1 tt -96.04 113.58 25.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -97.61 156.34 16.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.456 ' CG ' ' SD ' ' A' ' 96' ' ' MET . 5.4 p90 -173.41 -176.16 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.457 ' HG2' ' CD ' ' A' ' 79' ' ' ARG . 8.1 mtp180 -147.0 129.65 7.83 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 103.16 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.457 1.767 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.54 -70.41 1.05 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' GLY . 28.3 t80 -134.09 112.39 11.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.93 -44.7 79.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.17 20.55 5.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt 66.86 26.26 9.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 109.275 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.466 ' O ' ' CG2' ' A' ' 46' ' ' THR . 0.6 OUTLIER -151.13 24.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.397 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 46' ' ' THR . 0.8 OUTLIER 42.91 -166.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.987 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.569 HG13 ' CH2' ' A' ' 51' ' ' TRP . 14.9 mm -112.84 148.0 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.9 p -101.24 -23.31 14.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.969 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.422 ' NH1' ' HG3' ' A' ' 71' ' ' GLN . 4.3 ttm-85 -171.17 144.54 2.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CH2' HG13 ' A' ' 48' ' ' ILE . 24.1 m95 -106.83 119.49 39.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 107.972 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.47 ' HG ' ' CD1' ' A' ' 68' ' ' LEU . 5.2 tp -98.28 143.59 28.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.4 t -133.69 109.75 13.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.22 166.19 10.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -159.92 163.62 34.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CD ' ' NE1' ' A' ' 66' ' ' TRP . 2.7 mt-30 -118.57 147.99 43.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.456 HG23 ' CE2' ' A' ' 92' ' ' TYR . 37.9 t -86.84 133.03 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.426 ' O ' ' CG2' ' A' ' 60' ' ' VAL . . . 36.35 -98.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.099 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 57' ' ' VAL . 8.7 p -44.55 118.85 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 0.724 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 58' ' ' GLY . 68.4 t -120.72 95.86 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -179.39 171.81 43.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.553 1.158 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -51.8 173.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 0.762 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.0 -46.25 3.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.407 ' OE2' ' CG1' ' A' ' 59' ' ' VAL . 1.8 mm-40 -81.39 156.3 25.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -91.21 162.64 14.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.481 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 7.5 m95 -117.58 115.23 24.7 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -104.08 156.01 18.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.47 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 3.0 tp -74.07 157.42 36.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.424 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 5.5 pt -137.54 -45.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.445 ' HB2' ' CG1' ' A' ' 83' ' ' VAL . 54.2 t60 -132.3 133.49 44.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.595 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.422 ' HG3' ' NH1' ' A' ' 50' ' ' ARG . 5.5 pt20 -136.22 126.49 26.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 73' ' ' SER . 22.5 tp -107.87 131.92 53.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.475 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.6 OUTLIER -55.56 -166.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.965 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.475 ' C ' ' O ' ' A' ' 73' ' ' SER . 1.2 m120 -35.14 -83.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER 36.58 67.98 1.58 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.274 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.13 9.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.517 1.799 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -116.12 48.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.69 120.2 19.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.457 ' CD ' ' HG2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -97.88 -27.68 14.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -143.19 162.85 34.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.981 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.3 ptp -164.23 159.14 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.415 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 13.4 tt0 -83.29 138.64 33.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 70' ' ' HIS . 15.8 t -114.24 94.4 35.01 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -164.79 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.801 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 42.59 72.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.467 ' CD1' HG12 ' A' ' 34' ' ' VAL . 45.8 mt -126.36 152.82 45.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.45 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 9.9 m120 -88.35 113.4 55.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.501 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -75.0 147.93 34.6 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.461 1.769 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.0 t80 56.01 38.42 29.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.8 m -143.27 138.48 29.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.39 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.6 m -74.5 122.69 23.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 108.324 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.456 ' CE2' HG23 ' A' ' 57' ' ' VAL . 3.4 m-85 -143.65 159.95 41.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -119.62 177.78 4.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 93' ' ' SER . 53.2 m-85 -157.28 138.73 13.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.481 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 4.9 ptp180 -127.73 -168.23 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.456 ' SD ' ' CG ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -135.4 163.48 29.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -167.98 138.01 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.447 ' HB2' ' CG ' ' A' ' 18' ' ' PRO . 26.3 mt-30 -114.04 134.95 54.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.501 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 33.3 t -120.6 128.96 76.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.145 . . . . 0.0 109.239 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.464 ' HB2' ' CG2' ' A' ' 46' ' ' THR . 32.9 p-10 -135.26 -179.7 5.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.224 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -57.79 -16.26 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.494 ' CG1' HD21 ' A' ' 17' ' ' LEU . 40.6 t -81.85 -74.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.446 ' CA ' HD22 ' A' ' 17' ' ' LEU . . . -167.82 -148.67 5.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.501 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -126.05 123.32 38.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 110.407 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.94 170.36 2.66 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 173.49 14.4 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.37 22.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 109' ' ' GLN . 1.7 t -93.99 156.19 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.933 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -38.6 132.81 1.04 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 156.61 43.36 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.496 ' CB ' ' CD1' ' A' ' 26' ' ' ILE . 42.5 p -75.44 166.09 24.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -67.7 160.31 28.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.32 111.28 2.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 pp -107.68 179.24 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -141.07 109.76 6.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 30.1 p -65.2 152.91 42.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.434 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 20.6 mt -72.52 177.27 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -85.67 155.93 20.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.3 t -102.46 -64.06 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.25 156.9 3.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 96.97 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.9 m -157.38 139.98 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.968 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 37.2 t -88.03 146.72 25.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 p -160.59 126.75 4.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.028 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.9 p -106.81 150.8 25.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.06 142.65 17.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.07 154.01 26.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 109.96 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.21 92.37 3.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.44 154.76 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 p -83.01 121.1 26.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 110.412 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.2 pt -111.08 136.69 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -127.62 124.88 39.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.07 151.51 43.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.49 166.2 13.57 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.571 1.17 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.443 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 22.9 t -129.53 139.91 37.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.77 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.443 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.04 147.76 34.22 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.802 . . . . 0.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.504 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -74.97 165.01 32.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.791 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.465 ' O ' ' CG2' ' A' ' 102' ' ' VAL . 26.9 mt-10 -118.58 175.62 5.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.492 HD22 ' CG1' ' A' ' 102' ' ' VAL . 10.9 mt -76.71 153.56 83.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.467 ' CD ' HD21 ' A' ' 17' ' ' LEU . 18.3 Cg_endo -75.03 -171.53 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -123.89 163.08 17.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 111.065 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.95 5.86 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.545 1.813 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 146.97 33.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.801 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.5 p -117.35 -166.12 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 110.377 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 m120 62.95 30.68 16.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.92 136.71 43.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -160.36 142.31 8.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.461 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 10.2 mm -103.59 109.14 26.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.4 p -127.05 168.67 14.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 50.2 50.26 18.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.459 ' CG1' HG23 ' A' ' 26' ' ' ILE . 64.1 mt -73.4 110.06 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.04 -154.23 30.97 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -69.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -117.45 18.97 14.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.433 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 1.4 m -148.26 146.41 28.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 86' ' ' LEU . 1.5 m -151.16 156.76 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.1 m -97.15 127.79 43.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.461 ' HG ' ' CD1' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -108.12 121.07 44.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -105.41 144.59 31.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.595 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 4.2 p90 -165.53 -172.52 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -148.26 130.33 7.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 112.21 3.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.811 . . . . 0.0 111.046 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.67 -81.95 0.25 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -119.34 108.51 14.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -52.88 63.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.03 36.69 1.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt 56.28 32.39 20.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.2 t -173.18 113.35 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.7 p -41.17 158.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.545 HG13 ' CH2' ' A' ' 51' ' ' TRP . 10.4 mm -81.9 146.65 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.8 m -92.26 -33.31 14.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.963 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.43 ' NH1' HD12 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -170.45 138.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.545 ' CH2' HG13 ' A' ' 48' ' ' ILE . 12.8 m95 -93.04 136.92 32.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 107.979 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.484 ' CD1' HD11 ' A' ' 68' ' ' LEU . 2.7 tp -103.06 148.0 26.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.6 t -137.78 106.41 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -101.46 163.82 12.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.548 ' HA ' ' CZ3' ' A' ' 66' ' ' TRP . . . -158.76 164.88 35.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.575 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -126.25 130.55 51.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 59' ' ' VAL . 48.6 t -67.95 132.79 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 57' ' ' VAL . . . 36.55 -96.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' VAL . 7.3 p -44.98 105.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 93' ' ' SER . 2.8 p -141.56 99.86 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 139.58 67.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.108 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 175.32 -169.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.25 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.42 53.55 1.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -106.29 177.29 4.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -107.22 158.06 17.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.575 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 6.9 m95 -123.03 136.2 54.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 107.984 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.3 mt -120.17 160.62 22.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.484 HD11 ' CD1' ' A' ' 52' ' ' LEU . 1.6 tp -75.22 151.35 38.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.427 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 5.4 pt -134.11 -44.32 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.41 ' N ' HG13 ' A' ' 69' ' ' ILE . 16.7 t60 -139.25 148.35 42.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.578 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -147.33 134.66 20.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.6 tp -105.01 105.2 15.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.0 m -95.1 152.32 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.025 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.3 t30 45.04 75.56 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 177.0 64.96 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -10.5 21.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -102.34 39.84 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -117.75 115.12 24.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.505 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 1.7 tpt180 -87.0 -31.05 20.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.4 p -143.07 161.97 36.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.4 ptp -159.95 159.7 32.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -89.67 141.99 28.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.36 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.3 t -115.54 93.8 37.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -162.85 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.0 t70 45.09 63.46 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.467 ' CD1' HG13 ' A' ' 34' ' ' VAL . 21.1 mt -119.18 146.07 45.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.423 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 3.5 m-80 -85.99 121.31 72.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.52 42.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.1 t80 47.75 41.61 14.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.2 m -147.58 134.74 20.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.406 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 55.9 m -74.38 119.83 19.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 87' ' ' ASN . 2.5 m-85 -133.81 158.39 43.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 6.5 t -119.22 172.46 7.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.952 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.42 ' CD1' ' O ' ' A' ' 93' ' ' SER . 56.8 m-85 -157.02 139.99 15.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.37 -167.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.595 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -136.67 162.24 33.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 96' ' ' MET . 12.1 mtt180 -168.15 147.53 4.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.246 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.412 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 72.7 mt-30 -113.85 142.86 45.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.441 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 43.7 t -129.33 118.96 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.419 ' ND2' HG21 ' A' ' 102' ' ' VAL . 32.7 p30 -129.55 179.75 5.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -14.98 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.504 ' CG2' ' HB2' ' A' ' 15' ' ' PRO . 21.3 t -80.92 -66.14 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.449 ' N ' HD22 ' A' ' 17' ' ' LEU . . . -177.82 -156.27 16.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.441 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 0.9 OUTLIER -120.72 112.9 19.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 110.43 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.42 171.87 0.2 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.986 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.34 12.95 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.528 1.804 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.87 17.06 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 t -93.89 154.69 17.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.047 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.61 126.65 1.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.535 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 18.2 Cg_endo -75.03 155.68 42.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.9 p -75.11 143.78 43.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -47.86 175.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -78.08 134.74 37.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.373 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 pp -131.49 179.69 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -131.55 123.91 28.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 41.4 p -83.73 149.94 26.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 48.6 mt -69.44 171.96 7.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.95 172.43 7.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.29 97.89 7.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 153.01 159.2 8.93 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.488 1.117 . . . . 0.0 111.046 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 144.51 30.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 t -148.22 104.68 3.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.2 t -75.06 144.09 43.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 41.96 87.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.69 141.97 2.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 109.979 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.14 103.09 2.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.441 1.088 . . . . 0.0 111.038 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.4 t -157.42 84.08 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.55 147.5 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.44 144.05 3.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.3 p -117.77 -51.7 2.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 0.78 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.9 mt -118.53 92.39 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.3 t -75.63 128.36 35.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.012 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.57 78.84 9.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.007 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.1 -157.54 14.88 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.23 128.62 21.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 147.88 34.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.81 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.488 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.03 164.72 32.73 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.477 1.777 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.471 ' O ' ' CG2' ' A' ' 102' ' ' VAL . 84.8 mt-10 -116.3 175.0 5.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.498 HD21 ' CG1' ' A' ' 102' ' ' VAL . 11.5 mt -76.94 153.63 82.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.492 ' CD ' HD23 ' A' ' 17' ' ' LEU . 18.2 Cg_endo -75.03 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.14 167.72 24.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 119.54 5.68 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.27 26.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.0 p -117.42 -167.57 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.379 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.0 m120 59.91 26.07 15.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.89 144.19 56.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -176.89 133.7 2.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.496 ' CD1' ' CB ' ' A' ' 111' ' ' SER . 4.9 mp -103.2 132.15 50.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.7 m -125.61 170.3 11.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 42.56 54.26 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.475 ' CG1' HG22 ' A' ' 26' ' ' ILE . 44.3 mt -64.42 108.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 33' ' ' SER . . . -83.0 -172.54 48.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -52.16 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -120.36 10.32 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.18 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.46 ' O ' ' CA ' ' A' ' 30' ' ' GLY . 4.8 m -150.91 151.3 31.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.47 HG13 ' CD1' ' A' ' 86' ' ' LEU . 2.9 m -148.5 164.27 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.6 m -103.69 107.19 17.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.4 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.42 ' HG ' ' CG1' ' A' ' 26' ' ' ILE . 0.6 OUTLIER -91.3 120.91 32.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -106.57 149.71 26.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.564 ' CE2' ' HE1' ' A' ' 96' ' ' MET . 8.4 p90 -163.1 -173.51 3.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -152.83 133.99 8.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 103.69 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.78 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.83 -61.09 5.19 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.509 1.13 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -140.45 92.23 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -51.63 -64.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.92 42.6 0.18 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt 47.22 27.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 0.728 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 47' ' ' SER . 6.8 t -155.19 23.43 0.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 46' ' ' THR . 7.4 t 43.59 -166.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.476 HG13 ' CH2' ' A' ' 51' ' ' TRP . 29.0 mm -114.54 147.31 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.84 -38.82 8.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.466 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -152.32 143.89 23.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.476 ' CH2' HG13 ' A' ' 48' ' ' ILE . 21.4 m95 -103.32 140.41 37.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 107.989 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.466 ' CD1' ' HD3' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -110.49 133.89 52.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.7 t -128.54 104.67 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.461 ' HB2' ' CG ' ' A' ' 95' ' ' ARG . 5.2 mt-10 -98.58 166.07 11.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -156.9 154.29 29.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.412 ' OE1' ' O ' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -118.19 143.8 46.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.511 HG23 ' CE2' ' A' ' 92' ' ' TYR . 28.9 t -86.72 130.96 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' VAL . . . 35.19 -98.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.412 ' O ' ' OE1' ' A' ' 56' ' ' GLN . 3.6 p -45.34 96.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 58' ' ' GLY . 5.5 p -128.52 107.88 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -162.03 -133.33 1.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -117.86 104.29 10.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 149.97 -19.97 1.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -99.86 163.95 12.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 110.276 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -86.08 166.67 15.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.611 ' CG ' ' CZ ' ' A' ' 95' ' ' ARG . 6.6 m95 -127.48 99.69 5.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.062 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.407 ' N ' HD21 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -87.17 154.72 20.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 52' ' ' LEU . 9.7 tp -76.54 154.5 34.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.453 ' CG1' ' N ' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -135.44 -48.69 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.453 ' N ' ' CG1' ' A' ' 69' ' ' ILE . 67.7 t60 -126.47 138.29 53.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.553 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.408 ' OE1' ' CD2' ' A' ' 68' ' ' LEU . 18.3 pt20 -145.61 123.41 11.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 48.4 tp -104.29 117.74 34.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -99.81 156.63 17.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 49.4 t-20 43.55 91.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.436 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER 165.19 69.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -25.02 12.17 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.434 1.755 . . . . 0.0 110.983 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.92 -33.9 59.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -44.91 125.43 5.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -106.8 -24.87 11.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.4 p -143.33 159.85 41.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.524 ' HE2' ' CE1' ' A' ' 38' ' ' PHE . 3.3 ptt? -160.96 160.02 30.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -90.87 144.86 25.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.3 t -118.86 94.03 47.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -167.52 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.789 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 47.78 69.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.47 ' CD1' HG13 ' A' ' 34' ' ' VAL . 38.3 mt -127.17 145.44 50.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -86.98 113.64 54.48 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.455 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -74.98 147.35 33.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.9 t80 62.47 39.54 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 52.5 m -147.78 139.37 23.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 60.6 m -75.14 116.91 16.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 108.297 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.511 ' CE2' HG23 ' A' ' 57' ' ' VAL . 3.0 m-85 -136.23 153.99 51.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.46 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 1.3 t -119.55 165.19 14.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -142.72 152.02 41.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.611 ' CZ ' ' CG ' ' A' ' 66' ' ' TRP . 7.9 ptp180 -144.63 143.26 30.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.564 ' HE1' ' CE2' ' A' ' 38' ' ' PHE . 18.9 mmm -99.05 159.23 15.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -151.35 172.25 16.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -137.68 133.74 34.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.437 ' CG2' ' OG1' ' A' ' 104' ' ' THR . 93.0 t -125.85 130.23 72.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.438 ' ND2' HG22 ' A' ' 102' ' ' VAL . 34.0 p30 -135.54 -179.16 5.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -13.23 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.498 ' CG1' HD21 ' A' ' 17' ' ' LEU . 15.5 t -80.82 -72.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.432 ' N ' HD21 ' A' ' 17' ' ' LEU . . . -161.91 -151.13 6.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.437 ' OG1' ' CG2' ' A' ' 99' ' ' VAL . 1.1 m -128.76 100.98 5.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 0.738 . . . . 0.0 110.413 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.403 ' OG ' ' HG2' ' A' ' 18' ' ' PRO . 1.4 p -42.44 163.4 0.14 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.985 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.16 13.26 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.555 1.818 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.83 27.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.8 p -94.4 172.59 8.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.64 141.18 84.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 153.17 41.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.496 ' CB ' ' CD1' ' A' ' 26' ' ' ILE . 97.0 p -75.38 165.71 24.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.033 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -59.3 149.73 28.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.93 114.46 4.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 pp -117.22 163.65 14.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -119.83 108.7 14.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.1 p -57.46 145.7 32.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 53.8 mt -57.99 173.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -88.63 142.62 27.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.7 t -116.18 108.29 15.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -142.2 157.68 26.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -46.04 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.2 m 64.29 89.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.0 t -66.32 158.14 29.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.975 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 111.045 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 147.53 33.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.474 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.03 164.98 32.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.812 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.651 ' O ' HG21 ' A' ' 102' ' ' VAL . 57.8 mt-10 -117.18 173.6 6.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.253 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.523 HD21 ' CA ' ' A' ' 103' ' ' GLY . 11.3 mt -78.23 154.63 79.68 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.2 Cg_endo -74.92 -161.97 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.23 171.01 20.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.538 1.149 . . . . 0.0 111.035 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 117.52 4.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 141.81 27.17 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.498 1.789 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.2 p -120.22 -166.34 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.2 t30 66.64 30.29 8.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.46 138.06 42.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.58 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -149.54 154.51 25.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.603 HG22 HD11 ' A' ' 29' ' ' ILE . 6.4 mm -118.54 105.42 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.773 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.3 t -130.56 172.68 11.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 48.04 44.03 18.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.603 HD11 HG22 ' A' ' 26' ' ' ILE . 43.3 mt -70.25 106.49 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.377 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.39 -155.07 31.34 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.421 1.076 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -127.44 22.97 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.6 138.02 17.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.714 HG13 HD12 ' A' ' 86' ' ' LEU . 1.3 m -146.83 156.27 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 m -98.11 119.31 36.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.436 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.592 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -105.92 114.77 29.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -89.98 158.4 17.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.405 ' CZ ' ' O ' ' A' ' 78' ' ' ALA . 52.7 p90 -172.29 179.1 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.82 133.4 10.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.3 2.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.7 -77.92 0.35 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.45 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 3.1 t80 -122.57 106.51 11.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 0.757 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.44 -51.74 68.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.15 48.67 0.81 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt 53.67 32.01 13.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -174.16 137.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.411 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.3 p -63.89 164.79 9.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.49 HG13 ' CH2' ' A' ' 51' ' ' TRP . 5.0 mm -81.75 141.96 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.37 -29.38 15.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.946 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.458 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -170.62 141.91 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.49 ' CH2' HG13 ' A' ' 48' ' ' ILE . 8.2 m95 -100.65 139.06 36.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 107.966 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.921 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -107.8 129.53 55.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.2 t -122.38 105.0 15.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 94' ' ' PHE . 57.4 mt-10 -97.97 172.01 7.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -164.35 158.01 18.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.44 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -115.7 162.08 17.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.671 HG22 ' OH ' ' A' ' 92' ' ' TYR . 59.8 t -98.74 134.28 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.868 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.23 -96.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 57' ' ' VAL . 1.5 p -45.47 118.87 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 58' ' ' GLY . 96.3 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.44 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 7.6 m95 -116.71 120.18 37.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 107.968 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.2 mt -110.2 157.75 19.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.921 HD13 ' HG ' ' A' ' 52' ' ' LEU . 1.2 tp -73.05 150.4 42.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.435 HD13 ' CB ' ' A' ' 55' ' ' ALA . 1.8 pt -136.06 -44.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CB ' HG13 ' A' ' 83' ' ' VAL . 79.5 t60 -131.73 140.0 49.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.592 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.653 ' HB3' HD11 ' A' ' 68' ' ' LEU . 14.6 pt20 -147.44 126.45 12.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.453 HD21 ' HB3' ' A' ' 75' ' ' GLU . 38.9 tp -103.84 109.17 20.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.81 145.77 27.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.0 t30 55.24 74.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.453 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 176.11 65.23 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.32 9.83 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.67 49.49 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.405 ' O ' ' CZ ' ' A' ' 38' ' ' PHE . . . -127.79 95.79 4.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.1 -34.89 77.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.1 t -143.47 169.01 18.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.953 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.8 ptp -162.94 160.32 24.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.961 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.45 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 20.1 tt0 -87.18 143.42 27.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.582 HG12 HD21 ' A' ' 86' ' ' LEU . 11.3 t -114.23 93.68 31.97 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -172.56 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.487 ' O ' HD23 ' A' ' 86' ' ' LEU . 4.0 m-20 48.78 67.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.714 HD12 HG13 ' A' ' 34' ' ' VAL . 39.8 mt -119.5 150.43 40.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -87.49 115.78 63.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.419 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.2 Cg_endo -75.04 155.09 42.73 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.3 t80 48.83 41.48 18.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.7 m -147.59 135.08 20.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 57.3 m -75.14 116.0 15.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.671 ' OH ' HG22 ' A' ' 57' ' ' VAL . 3.1 m-85 -135.81 161.83 34.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.47 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 15.4 t -119.52 173.37 7.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.031 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.464 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 86.5 m-85 -153.88 144.59 22.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.404 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -133.23 -169.04 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.354 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 14.6 mmm -140.57 160.03 40.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.404 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 33.5 mtt180 -157.59 149.46 22.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -114.76 140.64 48.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.921 HG22 ' OG1' ' A' ' 104' ' ' THR . 21.5 t -130.41 128.11 63.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -135.57 179.55 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.438 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -55.93 -17.62 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.447 1.092 . . . . 0.0 109.234 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.651 HG21 ' O ' ' A' ' 16' ' ' GLU . 93.1 t -78.56 -71.44 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.523 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -175.73 -165.39 31.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.921 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -105.94 125.35 50.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.388 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.41 ' CB ' ' CD ' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -69.42 172.95 4.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.002 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 105' ' ' SER . 18.4 Cg_endo -74.99 173.83 13.83 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.402 ' HB2' ' NH1' ' A' ' 95' ' ' ARG . 18.4 Cg_endo -75.01 139.47 24.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 t -94.27 157.09 16.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.13 132.99 1.93 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 155.83 43.15 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.413 ' HB2' ' CG1' ' A' ' 26' ' ' ILE . 14.2 p -79.08 164.87 23.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.98 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -61.85 163.31 7.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -74.21 134.75 42.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 pp -133.96 178.39 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -129.89 118.15 21.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.419 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 23.5 p -73.73 143.44 46.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.426 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 60.2 mt -60.67 171.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.289 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -75.03 147.78 34.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.503 ' HB2' HG23 ' A' ' 102' ' ' VAL . 18.4 Cg_endo -74.98 164.22 33.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.472 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 55.0 mt-10 -123.52 175.0 7.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.519 HD21 ' CA ' ' A' ' 103' ' ' GLY . 8.1 mt -79.46 150.94 74.27 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.5 Cg_endo -74.93 -161.49 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.52 169.66 22.24 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.138 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 117.93 5.08 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.547 1.814 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.5 20.5 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.9 p -109.96 -165.77 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.443 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 61.62 31.45 18.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.52 123.84 22.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.57 160.67 23.19 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 1.059 ' CG2' HD11 ' A' ' 29' ' ' ILE . 3.2 mm -132.12 110.83 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.68 169.43 17.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 52.77 52.2 14.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.059 HD11 ' CG2' ' A' ' 26' ' ' ILE . 11.7 mm -74.71 99.57 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.51 -163.3 34.62 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -53.52 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.555 1.818 . . . . 0.0 111.026 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -128.65 18.18 6.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.35 135.95 16.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.835 ' HB ' HD13 ' A' ' 29' ' ' ILE . 2.1 m -142.63 154.77 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.2 m -93.54 134.58 35.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.678 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -118.61 121.25 39.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -105.4 141.43 36.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.579 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 3.2 p90 -158.47 -170.92 3.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -150.54 131.66 7.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 100.01 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.45 -74.34 0.36 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 4.3 t80 -125.91 100.18 6.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 111.035 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.02 -42.05 62.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.07 31.18 4.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.137 . . . . 0.0 110.976 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt 65.46 32.32 9.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 109.323 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.4 t -174.38 123.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.374 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 p -49.32 155.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.562 HG13 ' CH2' ' A' ' 51' ' ' TRP . 8.0 mm -74.77 139.6 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.11 -32.78 18.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -165.2 137.4 4.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.562 ' CH2' HG13 ' A' ' 48' ' ' ILE . 18.4 m95 -98.48 125.36 43.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 108.024 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.957 ' HG ' HD13 ' A' ' 68' ' ' LEU . 3.6 tp -96.81 144.78 26.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.7 t -134.55 106.11 7.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -101.07 160.14 14.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -157.07 160.16 38.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.521 ' OE1' HG13 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -120.1 138.7 53.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.854 HG22 ' OH ' ' A' ' 92' ' ' TYR . 32.6 t -76.68 134.6 28.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.905 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.98 -96.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.521 HG13 ' OE1' ' A' ' 56' ' ' GLN . 9.9 p -41.81 122.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 58' ' ' GLY . 97.2 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.592 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 5.8 m95 -114.48 134.69 54.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 108.019 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 66' ' ' TRP . 17.5 mt -118.17 161.07 20.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.957 HD13 ' HG ' ' A' ' 52' ' ' LEU . 2.9 tp -77.65 153.72 32.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.54 HD11 HG11 ' A' ' 83' ' ' VAL . 4.5 pt -135.09 -45.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.416 ' N ' HG13 ' A' ' 69' ' ' ILE . 68.3 t60 -133.8 134.67 43.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.622 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.49 ' HB3' HD11 ' A' ' 68' ' ' LEU . 18.8 pt20 -137.62 122.74 19.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 22.7 tp -103.98 113.17 26.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -100.68 160.84 14.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 73' ' ' SER . 0.8 OUTLIER 38.35 81.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.44 66.01 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.86 8.39 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -115.17 49.38 1.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -128.51 88.03 2.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.471 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 17.4 mmm-85 -61.85 -30.59 70.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.5 p -143.45 167.55 21.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.3 ptp -166.55 160.48 15.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -85.43 141.74 29.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.54 HG11 HD11 ' A' ' 69' ' ' ILE . 13.6 t -114.05 93.66 31.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.413 ' HD2' ' ND1' ' A' ' 70' ' ' HIS . 18.3 Cg_endo -75.03 -173.5 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.554 1.818 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 t0 50.25 67.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.744 HD12 HG13 ' A' ' 34' ' ' VAL . 45.3 mt -122.38 146.82 46.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.563 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 6.3 m120 -86.19 117.9 69.48 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.4 ' HA ' ' CB ' ' A' ' 116' ' ' THR . 18.2 Cg_endo -75.01 154.68 42.61 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 t80 48.34 42.96 18.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 110.98 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 94.8 m -147.35 137.78 23.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 61.5 m -74.67 117.83 16.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.854 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.2 m-85 -136.25 157.42 46.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.539 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 4.1 t -119.28 172.95 7.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.41 ' CG ' ' C ' ' A' ' 93' ' ' SER . 52.5 m-85 -156.62 141.26 16.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.592 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 8.7 ptp180 -126.72 -167.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.579 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -136.73 163.14 31.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -166.39 143.59 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 104' ' ' THR . 48.1 mt-30 -114.3 149.91 35.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.933 HG22 ' OG1' ' A' ' 104' ' ' THR . 18.9 t -135.82 126.47 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 38.2 p30 -132.17 179.78 5.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.459 ' H ' HG22 ' A' ' 101' ' ' ILE . 0.7 OUTLIER -56.3 -17.95 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.503 HG23 ' HB2' ' A' ' 15' ' ' PRO . 93.3 t -80.86 -75.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.519 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -168.03 -152.45 7.59 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.933 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -118.9 125.99 50.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 0.0 110.406 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.35 172.18 0.64 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 169.35 22.77 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.408 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.0 Cg_endo -75.02 136.56 20.51 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.449 ' OG ' ' N ' ' A' ' 109' ' ' GLN . 3.7 t -93.91 178.11 5.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.449 ' N ' ' OG ' ' A' ' 108' ' ' SER . 0.6 OUTLIER -73.82 148.31 87.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 152.64 40.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.803 . . . . 0.0 111.04 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.2 p -81.15 154.39 26.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.046 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -38.63 145.3 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 137.5 58.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.856 HD13 HD12 ' A' ' 29' ' ' ILE . 2.7 pp -127.45 -174.95 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -145.08 108.28 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.4 ' CB ' ' HA ' ' A' ' 88' ' ' PRO . 11.0 p -60.78 152.05 28.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.422 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 58.4 mt -66.72 179.19 1.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -75.0 147.78 34.38 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.46 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -75.08 158.75 41.72 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.452 ' O ' HG21 ' A' ' 102' ' ' VAL . 48.2 mt-10 -111.51 -177.51 3.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 17' ' ' LEU . 6.9 mt -85.52 152.35 57.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.3 Cg_endo -75.01 -165.39 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.45 169.41 23.77 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.16 5.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 155.15 42.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.7 p -124.67 -166.93 1.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 60.8 30.52 19.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD11 ' HB2' ' A' ' 96' ' ' MET . 0.2 OUTLIER -69.76 130.01 41.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.27 146.47 12.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 mp -115.89 129.91 71.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.0 p -129.86 164.41 24.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 50.62 51.67 16.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.38 107.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.01 -171.35 47.75 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -48.1 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.431 1.753 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -128.61 13.82 6.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.402 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -152.82 147.41 26.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.652 HG13 HD12 ' A' ' 86' ' ' LEU . 1.1 m -148.83 162.68 5.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.245 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.6 m -100.21 110.28 22.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.442 ' CD1' ' HB3' ' A' ' 94' ' ' PHE . 2.9 tt -94.98 111.33 23.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -94.03 156.4 16.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.09 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.586 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 23.0 p90 -169.74 -171.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -157.99 134.64 6.51 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 112.44 3.56 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.45 -70.76 1.22 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.453 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 2.0 t80 -125.39 89.44 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 111.04 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -48.62 -53.44 18.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.25 44.03 0.88 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt 56.68 34.71 25.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -173.86 139.55 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.396 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -68.17 162.61 24.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.569 HG13 ' CH2' ' A' ' 51' ' ' TRP . 6.3 mm -81.58 137.12 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 m -87.64 -29.5 21.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.465 ' NH1' HD13 ' A' ' 52' ' ' LEU . 1.2 tmm_? -165.85 136.71 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CH2' HG13 ' A' ' 48' ' ' ILE . 24.9 m95 -97.76 132.19 43.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.906 ' HG ' HD13 ' A' ' 68' ' ' LEU . 2.9 tp -102.28 144.14 31.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.6 t -135.06 105.93 6.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -102.37 162.43 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -159.85 165.1 32.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -125.14 143.24 51.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.678 HG22 ' OH ' ' A' ' 92' ' ' TYR . 42.9 t -79.07 130.25 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.576 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.57 -97.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' VAL . 99.5 t -42.95 97.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 0.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 58' ' ' GLY . 50.6 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.588 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 11.6 m95 -112.6 119.93 39.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 mt -109.18 157.51 18.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.906 HD13 ' HG ' ' A' ' 52' ' ' LEU . 2.4 tp -75.15 146.78 41.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.596 HD11 HG11 ' A' ' 83' ' ' VAL . 4.3 pt -126.93 -43.47 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.816 ' HB2' HG13 ' A' ' 83' ' ' VAL . 12.3 t60 -139.06 137.77 36.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.58 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.652 ' HB3' HD11 ' A' ' 68' ' ' LEU . 21.1 pt20 -140.43 128.01 21.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 48.2 tp -103.8 130.49 51.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.0 m -121.19 140.59 51.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.435 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 35.1 t30 64.79 78.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.1 OUTLIER 165.3 69.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.72 20.05 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -81.9 -29.46 32.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.53 115.31 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.413 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 1.5 mpp_? -91.78 -27.44 18.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.443 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 3.5 m -143.25 162.17 36.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.964 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -162.7 157.61 21.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -85.09 140.02 31.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.816 HG13 ' HB2' ' A' ' 70' ' ' HIS . 21.4 t -113.89 94.4 33.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.523 ' HD2' ' CE1' ' A' ' 70' ' ' HIS . 18.2 Cg_endo -75.01 -169.05 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.446 1.761 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 51.04 69.37 0.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.652 HD12 HG13 ' A' ' 34' ' ' VAL . 63.9 mt -127.54 149.49 50.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -87.04 117.77 69.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.442 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.1 Cg_endo -75.01 150.84 38.71 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.8 t80 55.41 41.61 30.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 87.6 m -147.57 138.07 23.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 55.2 m -75.28 125.68 29.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.289 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.678 ' OH ' HG22 ' A' ' 57' ' ' VAL . 2.6 m-85 -143.38 158.81 43.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.582 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 1.7 t -119.5 174.05 6.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.456 ' CD1' ' O ' ' A' ' 93' ' ' SER . 49.8 m-85 -157.1 141.26 16.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.588 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 5.4 ptp180 -126.52 -167.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.586 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -138.5 163.07 32.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -165.89 148.67 7.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 104' ' ' THR . 32.9 mt-30 -118.58 143.25 46.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.509 HG22 ' OG1' ' A' ' 104' ' ' THR . 5.2 t -127.44 124.84 64.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 103' ' ' GLY . 45.1 p-10 -133.09 161.85 33.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.408 ' O ' HG13 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -40.53 -33.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 15' ' ' PRO . 29.2 t -65.58 -74.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.403 ' O ' ' OD1' ' A' ' 100' ' ' ASN . . . -163.49 -143.1 3.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.509 ' OG1' HG22 ' A' ' 99' ' ' VAL . 1.0 OUTLIER -131.78 132.57 43.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 110.392 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.81 169.1 2.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 168.21 25.32 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 133.42 16.55 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.0 t -94.41 165.83 12.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.949 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -59.78 157.11 30.57 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 158.62 41.8 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.5 1.79 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.2 p -82.67 167.12 18.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.023 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 114' ' ' ILE . 10.3 mmt180 -52.17 143.52 14.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 124.1 19.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.45 HG23 ' O ' ' A' ' 112' ' ' ARG . 2.4 pp -122.78 176.23 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -140.39 109.0 5.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.32 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.442 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 73.9 p -58.21 158.55 6.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.464 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 63.8 mt -76.54 -172.81 2.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.449 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 40.4 t . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.449 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.04 147.58 33.98 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.507 1.793 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.492 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.0 168.71 24.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.572 ' C ' HG21 ' A' ' 102' ' ' VAL . 44.0 mt-10 -130.5 173.86 10.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.538 HD21 ' CA ' ' A' ' 103' ' ' GLY . 9.0 mt -76.79 151.78 82.51 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -161.16 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.52 165.81 23.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 118.61 5.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.75 35.71 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.546 1.814 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.1 p -120.55 -166.05 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 m120 61.9 30.55 18.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.03 129.07 37.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.03 152.47 23.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.567 HD13 ' HG ' ' A' ' 36' ' ' LEU . 5.1 mm -104.04 132.42 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.1 m -138.21 164.58 28.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.964 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 41.08 59.1 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.456 HG12 HD13 ' A' ' 114' ' ' ILE . 6.0 mt -70.12 100.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.37 -166.93 37.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.449 1.763 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -123.6 3.7 8.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.94 144.47 35.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.705 HG13 HD12 ' A' ' 86' ' ' LEU . 1.5 m -144.5 175.55 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.4 m -113.98 123.56 50.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.384 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.567 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -107.25 121.21 44.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.363 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -104.51 148.58 26.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.475 ' CG ' ' SD ' ' A' ' 96' ' ' MET . 4.2 p90 -167.07 -171.51 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -151.03 129.42 6.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 103.7 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.788 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.79 -78.05 0.16 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.5 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 22.1 t80 -123.34 107.98 12.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.48 -46.16 89.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.5 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 108.92 26.84 5.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.441 1.088 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt 65.34 34.6 8.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 46' ' ' THR . 11.6 t -169.81 115.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.4 m -46.05 149.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.567 HG13 ' CH2' ' A' ' 51' ' ' TRP . 6.3 mm -71.65 137.87 22.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.65 -33.16 25.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.525 ' NE ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -167.82 139.88 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.567 ' CH2' HG13 ' A' ' 48' ' ' ILE . 29.0 m95 -97.44 129.08 44.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 107.991 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.897 ' HG ' HD13 ' A' ' 68' ' ' LEU . 2.5 tp -98.69 145.03 27.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 70' ' ' HIS . 12.6 t -137.49 105.58 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.407 ' OE1' ' NH2' ' A' ' 97' ' ' ARG . 56.9 mt-10 -98.26 171.07 8.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.536 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -166.5 164.04 17.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.6 ' O ' ' CD2' ' A' ' 92' ' ' TYR . 4.7 mt-30 -122.82 161.61 23.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.805 HG22 ' OH ' ' A' ' 92' ' ' TYR . 45.6 t -98.68 129.67 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.839 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 37.15 -98.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 57' ' ' VAL . 79.2 t -42.98 107.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 58' ' ' GLY . 93.1 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 2.2 pt-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.408 ' O ' HD23 ' A' ' 67' ' ' LEU . 24.1 m95 -123.56 107.45 11.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.019 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 66' ' ' TRP . 11.8 mt -112.0 161.54 16.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.244 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.897 HD13 ' HG ' ' A' ' 52' ' ' LEU . 1.8 tp -74.05 151.6 40.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.505 HD13 ' CB ' ' A' ' 55' ' ' ALA . 3.7 pt -134.7 -44.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CE1' ' HD2' ' A' ' 84' ' ' PRO . 12.0 t60 -136.24 141.8 43.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.643 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.537 ' HB3' HD11 ' A' ' 68' ' ' LEU . 14.6 pt20 -144.47 134.93 24.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.285 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 75' ' ' GLU . 33.1 tp -106.57 112.85 26.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.96 149.67 22.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 110.034 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 45.78 84.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.461 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 170.31 66.35 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -1.11 10.79 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -115.39 52.04 0.9 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.53 94.13 3.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.15 -29.86 68.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.9 p -143.38 161.46 38.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.7 ptp -160.92 157.15 26.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -84.85 138.09 32.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.51 HG13 ' CB ' ' A' ' 70' ' ' HIS . 11.9 t -114.24 93.49 31.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.572 ' HD2' ' CE1' ' A' ' 70' ' ' HIS . 18.3 Cg_endo -74.99 -162.8 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 40.6 73.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.705 HD12 HG13 ' A' ' 34' ' ' VAL . 59.6 mt -126.57 155.33 42.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -87.17 119.43 70.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 159.36 41.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CD1' ' HG2' ' A' ' 118' ' ' GLN . 0.2 OUTLIER 38.91 44.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.3 m -146.1 134.01 21.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.43 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 59.6 m -74.59 115.83 14.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 108.297 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.805 ' OH ' HG22 ' A' ' 57' ' ' VAL . 2.2 m-85 -134.77 156.5 48.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.536 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 2.2 t -119.39 166.93 12.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.444 ' CB ' HD11 ' A' ' 36' ' ' LEU . 48.8 m-85 -150.6 147.64 27.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -130.53 -170.46 2.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.475 ' SD ' ' CG ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -132.33 163.03 29.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.407 ' NH2' ' OE1' ' A' ' 54' ' ' GLU . 7.5 mtt180 -168.57 144.77 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.437 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 61.6 mt-30 -114.37 149.56 35.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.923 HG22 ' OG1' ' A' ' 104' ' ' THR . 53.6 t -136.39 128.23 44.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 25.9 p-10 -135.41 -179.51 5.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.416 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -58.22 -15.49 5.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.572 HG21 ' C ' ' A' ' 16' ' ' GLU . 93.4 t -79.49 -76.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.538 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -166.19 -161.91 16.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.923 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -114.36 111.75 21.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.375 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.74 169.07 0.43 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.947 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.07 13.4 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.487 1.783 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 137.37 21.56 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.8 t -94.18 163.32 13.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.86 129.76 11.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 159.01 41.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.3 p -77.11 164.63 25.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -63.64 165.64 7.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.35 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.81 119.93 16.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.456 HD13 HG12 ' A' ' 29' ' ' ILE . 2.3 pp -119.89 166.62 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.6 122.69 40.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 53.1 p -80.9 153.83 27.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.6 mt -67.09 177.85 1.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.404 ' HG2' ' CD1' ' A' ' 89' ' ' PHE . 1.8 mm-40 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.06 147.69 34.05 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.497 1.788 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.456 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.1 Cg_endo -75.02 158.14 42.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.466 1.771 . . . . 0.0 110.956 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.49 ' O ' HG21 ' A' ' 102' ' ' VAL . 47.3 mt-10 -112.85 179.32 4.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.492 HD21 ' CA ' ' A' ' 103' ' ' GLY . 8.1 mt -80.52 152.61 73.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.474 ' CG ' ' HB3' ' A' ' 98' ' ' GLN . 18.3 Cg_endo -75.02 -161.63 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.52 168.29 21.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 120.51 6.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.457 1.767 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 145.11 31.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.532 1.806 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.2 p -121.6 -165.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.389 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 61.75 31.55 18.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.74 133.55 41.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -148.86 156.28 26.76 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.591 HD13 ' HG ' ' A' ' 36' ' ' LEU . 4.7 mm -117.25 106.31 19.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.5 m -122.52 172.88 8.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 46.06 43.68 10.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.546 ' CG1' HG22 ' A' ' 26' ' ' ILE . 20.5 mt -61.99 101.76 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.5 -165.25 41.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -53.63 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.6 mtm180 -128.65 15.87 6.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.07 136.86 20.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.697 HG13 HD12 ' A' ' 86' ' ' LEU . 1.8 m -142.95 157.46 17.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.9 m -100.59 119.94 39.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.591 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -103.41 114.53 28.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -97.56 161.77 13.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.413 ' CE2' ' HE1' ' A' ' 96' ' ' MET . 33.8 p90 -179.73 -171.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -148.04 134.56 9.99 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.65 3.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.466 1.771 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.41 -73.65 0.71 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -128.64 113.25 15.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -64.14 -49.97 70.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.89 32.96 2.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.11 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt 60.79 37.25 18.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.274 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 t -172.12 127.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.8 p -52.89 146.08 11.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.505 HG13 ' CH2' ' A' ' 51' ' ' TRP . 6.6 mm -66.47 150.95 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.5 m -100.29 -38.53 8.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.478 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -169.5 141.0 2.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.549 ' CZ3' ' HG3' ' A' ' 98' ' ' GLN . 7.7 m95 -96.77 144.0 27.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.889 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -111.74 130.29 55.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.11 108.21 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -100.58 172.91 6.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.609 ' CB ' HD13 ' A' ' 69' ' ' ILE . . . -167.94 157.28 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 59' ' ' VAL . 1.2 mt-30 -119.42 147.44 44.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.773 HG13 ' OH ' ' A' ' 92' ' ' TYR . 38.8 t -85.76 130.41 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.663 ' O ' HG12 ' A' ' 60' ' ' VAL . . . 36.4 -98.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 59' ' ' VAL . 5.4 p -46.83 96.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.92 HG21 ' HB2' ' A' ' 93' ' ' SER . 3.2 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.594 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 8.7 m95 -109.93 118.02 35.34 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -100.77 153.23 19.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.889 HD13 ' HG ' ' A' ' 52' ' ' LEU . 6.5 tp -75.79 152.24 37.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.609 HD13 ' CB ' ' A' ' 55' ' ' ALA . 1.2 pt -137.93 -46.95 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.604 ' CB ' HG13 ' A' ' 83' ' ' VAL . 78.2 t60 -129.01 149.03 51.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.624 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.557 ' OE1' HD21 ' A' ' 68' ' ' LEU . 13.4 pt20 -154.82 125.28 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.8 tp -103.48 116.37 32.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.19 135.17 47.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 69.27 88.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 169.59 71.02 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.92 8.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.506 1.793 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -125.0 35.95 4.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -107.37 94.02 4.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -30.86 70.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 64.7 p -143.8 171.07 14.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 110.033 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.8 ptp -164.98 155.32 13.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.463 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 20.3 tt0 -83.01 137.81 33.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.604 HG13 ' CB ' ' A' ' 70' ' ' HIS . 6.2 t -113.51 93.86 29.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -169.15 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.65 ' O ' HD23 ' A' ' 86' ' ' LEU . 4.1 t70 45.58 73.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.697 HD12 HG13 ' A' ' 34' ' ' VAL . 68.8 mt -129.22 144.5 51.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -86.39 116.1 64.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.488 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -74.95 153.86 42.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.9 t80 54.28 40.27 31.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.3 m -146.8 135.41 22.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.364 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 58.0 m -74.12 114.57 12.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 108.277 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.773 ' OH ' HG13 ' A' ' 57' ' ' VAL . 2.6 m-85 -133.81 159.81 39.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.92 ' HB2' HG21 ' A' ' 60' ' ' VAL . 3.9 t -119.26 165.38 14.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.959 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -150.82 140.53 21.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.594 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 5.9 ptp180 -128.65 -168.06 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.413 ' HE1' ' CE2' ' A' ' 38' ' ' PHE . 12.1 mmm -141.68 157.61 44.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 53.1 mtt180 -150.58 157.93 43.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.549 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -123.28 134.69 54.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 1.024 HG22 ' OG1' ' A' ' 104' ' ' THR . 40.3 t -127.74 130.65 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.4 p30 -135.78 -179.26 5.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -15.83 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.49 HG21 ' O ' ' A' ' 16' ' ' GLU . 63.3 t -83.3 -78.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.492 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -160.88 -150.44 5.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . 1.024 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -121.51 133.39 55.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.759 . . . . 0.0 110.392 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.401 ' CB ' ' CD ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -72.09 172.99 6.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.04 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 105' ' ' SER . 18.3 Cg_endo -75.02 173.68 14.09 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.812 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.422 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -75.0 137.47 21.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.2 t -94.2 150.76 20.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.032 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -39.47 135.3 1.18 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 157.99 42.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.3 p -82.95 145.64 29.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.002 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -44.01 161.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.01 121.95 16.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.135 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.2 pp -115.63 173.44 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.72 112.89 12.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.417 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 19.4 p -69.7 151.35 45.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.434 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 30.5 mt -64.68 175.06 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.142 . . . . 0.0 110.315 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.439 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 21.8 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.439 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.98 147.53 34.12 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.488 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.6 Cg_endo -74.94 163.02 36.27 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.838 ' O ' HG21 ' A' ' 102' ' ' VAL . 47.4 mt-10 -114.92 174.86 5.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.521 HD23 ' HB ' ' A' ' 102' ' ' VAL . 10.8 mt -76.31 152.62 83.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -170.29 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.43 163.53 20.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 122.67 7.33 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.9 22.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.54 1.81 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 p -108.42 -167.68 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.458 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 m120 61.88 35.56 16.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.38 137.91 40.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.09 144.34 10.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.51 HD13 ' HG ' ' A' ' 36' ' ' LEU . 4.8 mm -105.19 114.8 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.6 p -125.3 172.28 9.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 41.47 57.01 3.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.491 HD13 ' HB ' ' A' ' 114' ' ' ILE . 48.8 mt -71.19 101.79 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.08 -166.1 35.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.445 1.091 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -49.21 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.789 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.21 16.99 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.443 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -152.83 150.01 28.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.704 HG13 HD12 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -151.6 171.19 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.1 m -109.46 124.29 50.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -105.49 126.56 52.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -110.67 159.86 17.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.541 ' CD1' ' O ' ' A' ' 79' ' ' ARG . 35.0 p90 179.68 -172.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 11.9 mtt85 -145.13 134.11 11.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 39' ' ' ARG . 18.4 Cg_endo -75.01 106.11 2.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.77 -87.67 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.573 1.171 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -111.98 104.38 12.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.82 -55.76 23.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 113.03 47.99 0.63 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt 48.09 29.17 1.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 0.732 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.43 ' CG2' ' HB2' ' A' ' 100' ' ' ASN . 0.7 OUTLIER -168.79 128.3 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.8 m -55.67 163.51 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.569 HG13 ' CH2' ' A' ' 51' ' ' TRP . 19.5 mm -84.82 143.52 11.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.09 -37.99 11.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.48 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 3.8 tmm_? -166.36 137.22 3.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CH2' HG13 ' A' ' 48' ' ' ILE . 3.6 m95 -94.01 145.65 24.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 107.981 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.963 ' HG ' HD13 ' A' ' 68' ' ' LEU . 1.2 tp -109.29 129.15 55.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.503 ' O ' HD12 ' A' ' 68' ' ' LEU . 15.8 t -121.44 105.81 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.498 ' OE2' ' CZ ' ' A' ' 97' ' ' ARG . 23.0 mt-10 -99.39 176.83 5.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.522 ' HB3' HG21 ' A' ' 69' ' ' ILE . . . -168.5 156.8 8.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.552 ' O ' ' CD2' ' A' ' 92' ' ' TYR . 2.0 mt-30 -117.97 153.55 33.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.664 HG13 ' OH ' ' A' ' 92' ' ' TYR . 47.2 t -89.09 128.11 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.802 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.95 -95.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' VAL . 53.8 t -42.05 102.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.793 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 58' ' ' GLY . 97.9 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -114.34 102.39 10.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 108.021 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.5 mt -94.65 154.91 17.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.242 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.963 HD13 ' HG ' ' A' ' 52' ' ' LEU . 12.1 tp -75.2 155.63 36.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.583 HD11 HG11 ' A' ' 83' ' ' VAL . 2.7 pt -134.75 -47.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.723 ' CB ' HG13 ' A' ' 83' ' ' VAL . 41.5 t60 -130.26 142.69 50.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.607 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.584 ' OE1' HD21 ' A' ' 68' ' ' LEU . 15.6 pt20 -147.7 125.17 11.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 25.1 tp -104.55 118.94 37.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.39 139.32 44.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.3 t30 71.61 71.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.01 68.56 0.21 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 1.09 8.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.53 30.29 6.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -104.7 108.4 19.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.541 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -82.93 -29.05 29.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.8 p -143.24 170.36 15.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.7 ptp -167.42 157.81 11.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 14.2 tt0 -86.08 140.37 30.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.723 HG13 ' CB ' ' A' ' 70' ' ' HIS . 4.8 t -118.27 93.13 44.51 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -164.07 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 44.62 68.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.704 HD12 HG13 ' A' ' 34' ' ' VAL . 21.5 mt -119.87 161.13 21.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.466 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 8.8 m120 -94.88 112.16 57.13 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.405 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.3 Cg_endo -74.96 144.34 30.29 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.5 t80 60.77 36.08 19.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.8 m -146.89 138.58 24.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.421 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 56.6 m -74.68 132.74 41.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 108.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.664 ' OH ' HG13 ' A' ' 57' ' ' VAL . 5.1 m-85 -151.08 161.47 42.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.432 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 27.4 p -119.49 173.63 6.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.596 ' HB3' HD11 ' A' ' 36' ' ' LEU . 69.1 m-85 -156.86 137.67 13.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.5 -170.6 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 11.3 mmm -140.71 160.07 40.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.498 ' CZ ' ' OE2' ' A' ' 54' ' ' GLU . 72.3 mtt180 -154.72 167.67 29.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.443 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 77.7 mt-30 -131.82 133.95 45.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 1.006 HG22 ' OG1' ' A' ' 104' ' ' THR . 60.0 t -123.78 126.97 73.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.43 ' HB2' ' CG2' ' A' ' 46' ' ' THR . 37.2 p30 -135.58 -179.98 5.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.44 -15.87 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.838 HG21 ' O ' ' A' ' 16' ' ' GLU . 22.0 t -80.59 -67.95 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.518 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -170.43 -143.14 3.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . 1.006 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.8 OUTLIER -125.27 143.42 50.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 110.436 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.0 p -76.71 159.13 79.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 174.39 12.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.803 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 129.86 12.69 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 t -93.5 168.76 10.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.15 136.03 39.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.48 39.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.5 p -77.44 146.12 36.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.048 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -44.94 152.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 136.12 56.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.491 ' HB ' HD13 ' A' ' 29' ' ' ILE . 1.8 pp -132.73 -179.36 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.2 121.23 23.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.405 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 41.6 p -75.36 148.67 39.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.6 mt -69.8 173.6 6.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.01 147.68 34.21 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.488 1.783 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.459 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.0 154.6 42.6 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.444 1.76 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.593 ' O ' HG21 ' A' ' 102' ' ' VAL . 42.8 mt-10 -109.3 -176.24 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 17' ' ' LEU . 8.6 mt -85.93 154.3 58.02 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.4 Cg_endo -74.99 -165.27 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.14 163.92 22.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.548 1.155 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.85 6.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 135.14 18.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.8 p -114.36 -166.3 1.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 60.99 29.19 18.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.47 134.29 48.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.99 145.9 14.5 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.594 HG22 ' CG1' ' A' ' 29' ' ' ILE . 4.8 mm -104.25 115.66 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.754 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.5 m -125.23 172.7 9.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 40.29 51.81 2.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.594 ' CG1' HG22 ' A' ' 26' ' ' ILE . 11.3 mt -68.37 100.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -84.96 -168.9 45.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -50.11 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -125.88 8.94 7.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.5 p -146.54 145.19 30.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.689 HG13 HD12 ' A' ' 86' ' ' LEU . 1.9 m -146.48 160.69 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.2 m -102.17 115.6 30.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -100.88 118.59 37.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -104.09 139.67 38.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.542 ' CE2' ' HE1' ' A' ' 96' ' ' MET . 28.3 p90 -151.4 -175.91 5.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -149.73 133.23 8.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 114.3 3.99 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.62 -73.03 0.81 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.125 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.499 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 13.5 t80 -124.6 97.03 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -46.53 -49.56 18.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.499 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 105.86 40.55 1.98 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt 55.94 30.1 15.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.786 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 44' ' ' GLY . 9.4 t -170.89 133.6 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -59.98 160.29 8.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.513 HG13 ' CH2' ' A' ' 51' ' ' TRP . 7.2 mm -79.39 146.1 8.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.27 -35.83 12.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -164.91 145.67 7.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.583 ' HB2' ' HE1' ' A' ' 81' ' ' MET . 24.4 m95 -102.13 135.51 43.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 107.978 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.883 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -106.83 134.23 50.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.7 t -123.56 114.43 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -110.35 160.75 16.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -154.94 164.48 38.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.54 135.16 50.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.9 HG22 ' OH ' ' A' ' 92' ' ' TYR . 28.4 t -71.7 135.61 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.966 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.94 -95.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' VAL . 76.5 t -40.1 127.29 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.966 HG23 ' O ' ' A' ' 58' ' ' GLY . 93.6 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.559 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 19.8 m95 -103.18 118.33 36.55 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.7 mt -107.38 156.57 18.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.883 HD13 ' HG ' ' A' ' 52' ' ' LEU . 8.5 tp -75.56 152.68 37.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.473 HD13 ' CB ' ' A' ' 55' ' ' ALA . 8.6 pt -135.88 -48.27 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.653 ' HB2' HG13 ' A' ' 83' ' ' VAL . 14.2 t60 -136.26 157.79 45.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.826 ' CD ' HD21 ' A' ' 68' ' ' LEU . 1.4 mt-30 -148.82 160.64 43.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.418 HD23 ' CD1' ' A' ' 51' ' ' TRP . 24.5 tp -134.96 106.39 6.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.56 147.1 25.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 0.3 OUTLIER 52.48 87.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.512 ' CD ' ' HB2' ' A' ' 78' ' ' ALA . 0.0 OUTLIER 165.98 70.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -26.22 11.16 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.77 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -77.04 -37.19 55.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.512 ' HB2' ' CD ' ' A' ' 75' ' ' GLU . . . -41.1 127.23 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.21 -23.67 11.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.8 p -143.14 159.5 42.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.017 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.583 ' HE1' ' HB2' ' A' ' 51' ' ' TRP . 5.8 ptp -156.01 159.14 38.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -93.28 138.18 31.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.653 HG13 ' HB2' ' A' ' 70' ' ' HIS . 4.6 t -113.96 93.84 31.4 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.534 ' HD2' ' CE1' ' A' ' 70' ' ' HIS . 18.3 Cg_endo -75.0 -165.78 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.464 1.77 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 42.61 75.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.689 HD12 HG13 ' A' ' 34' ' ' VAL . 62.3 mt -129.34 148.79 51.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -87.33 113.63 54.83 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.428 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -75.02 157.18 42.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.521 1.801 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.0 t80 53.57 40.08 30.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 90.4 m -147.74 137.76 22.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.441 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 60.7 m -74.84 115.29 14.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 108.308 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.9 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.1 m-85 -135.7 158.41 44.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.539 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 94.5 p -119.63 171.69 8.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.474 ' CB ' HD11 ' A' ' 36' ' ' LEU . 65.2 m-85 -156.62 131.57 9.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.559 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 5.0 ptp180 -120.68 -168.7 1.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.244 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.542 ' HE1' ' CE2' ' A' ' 38' ' ' PHE . 17.3 mmm -141.31 159.58 41.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.18 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -153.58 154.02 33.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 104' ' ' THR . 32.1 mt-30 -117.85 144.08 45.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.951 HG22 ' OG1' ' A' ' 104' ' ' THR . 41.4 t -136.06 129.07 46.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 35.0 p-10 -134.36 179.63 6.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.16 -17.8 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.593 HG21 ' O ' ' A' ' 16' ' ' GLU . 58.7 t -82.19 -79.78 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.447 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -161.45 -150.82 6.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.951 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -118.66 146.07 44.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 110.384 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.42 ' CB ' ' CD ' ' A' ' 106' ' ' PRO . 0.4 OUTLIER -82.37 174.01 6.72 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.986 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 105' ' ' SER . 18.3 Cg_endo -75.02 173.24 14.85 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.799 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.411 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -74.95 136.73 20.9 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 109' ' ' GLN . 2.6 t -94.14 145.09 24.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 108' ' ' SER . 2.2 mp0 -37.66 140.34 0.52 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.57 34.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.791 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 79.7 p -77.54 146.42 36.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 112' ' ' ARG . 23.0 mtm105 -39.33 146.81 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -66.34 117.35 8.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 pp -109.3 173.12 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -127.73 109.91 12.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 19.7 p -61.51 153.95 25.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.447 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 55.4 mt -65.98 172.68 3.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.349 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.423 HG13 ' HD2' ' A' ' 14' ' ' PRO . 38.2 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.4 Cg_endo -74.99 147.79 34.46 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.498 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -75.0 162.17 37.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.694 ' O ' HG21 ' A' ' 102' ' ' VAL . 47.7 mt-10 -116.33 173.94 6.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.467 HD21 ' CA ' ' A' ' 103' ' ' GLY . 11.6 mt -78.16 154.79 79.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.5 Cg_endo -74.98 -161.41 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.454 1.765 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.47 169.44 23.44 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.18 4.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 140.6 25.56 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.79 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.6 p -113.51 -165.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 64.49 26.06 13.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.515 HD11 ' HG3' ' A' ' 96' ' ' MET . 0.2 OUTLIER -71.02 128.16 35.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.4 147.18 16.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.534 HG22 ' CG1' ' A' ' 29' ' ' ILE . 26.2 mm -99.73 121.03 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 m -127.17 167.89 15.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 41.07 54.67 3.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.534 ' CG1' HG22 ' A' ' 26' ' ' ILE . 8.5 mt -68.7 100.22 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -84.97 -168.82 45.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -48.11 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -128.98 10.25 5.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.418 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 1.1 p -147.35 148.47 31.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.032 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.632 HG13 HD12 ' A' ' 86' ' ' LEU . 1.1 m -149.72 164.1 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.7 m -107.28 113.24 26.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.429 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.475 ' HG ' ' CD1' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -96.98 129.06 44.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -111.12 143.81 41.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 35.3 p90 -157.58 -171.45 3.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -157.87 132.71 5.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 111.39 3.31 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.39 -72.03 0.85 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.495 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 10.6 t80 -129.37 86.71 2.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.06 -58.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.495 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 115.18 58.52 0.35 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt 43.45 34.42 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 44' ' ' GLY . 13.7 t -173.53 141.89 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.7 m -73.35 163.56 27.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.621 HG23 ' H ' ' A' ' 99' ' ' VAL . 7.5 mm -81.2 137.29 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.2 m -85.01 -27.91 26.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.424 ' CD ' HD13 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -170.24 138.77 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.561 ' CH2' HG13 ' A' ' 48' ' ' ILE . 46.0 m95 -95.66 135.44 37.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.913 ' HG ' HD13 ' A' ' 68' ' ' LEU . 1.6 tp -106.2 134.22 49.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.8 t -127.88 105.78 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -99.83 169.68 9.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -167.02 162.29 15.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.647 ' OE1' HG23 ' A' ' 60' ' ' VAL . 7.3 mt-30 -121.97 148.52 44.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.753 HG22 ' OH ' ' A' ' 92' ' ' TYR . 43.8 t -88.76 127.13 41.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.573 ' O ' HG12 ' A' ' 60' ' ' VAL . . . 38.77 -95.2 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.551 1.157 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' VAL . 46.9 t -50.77 99.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.726 HG21 ' HB2' ' A' ' 93' ' ' SER . 2.7 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.521 ' CH2' ' HB3' ' A' ' 93' ' ' SER . 10.2 m95 -116.49 117.21 29.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 107.985 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 mt -107.18 158.32 17.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.913 HD13 ' HG ' ' A' ' 52' ' ' LEU . 1.7 tp -74.43 142.17 44.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.499 HD11 HG11 ' A' ' 83' ' ' VAL . 4.0 pt -124.35 -42.02 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.709 ' HB2' HG13 ' A' ' 83' ' ' VAL . 13.3 t60 -139.82 142.06 36.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.581 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.725 ' HB3' HD11 ' A' ' 68' ' ' LEU . 18.2 pt20 -144.72 133.94 22.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.647 HD21 ' CB ' ' A' ' 78' ' ' ALA . 23.8 tp -106.9 118.34 36.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.0 m -103.54 150.0 24.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.978 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 46.98 81.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.467 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 171.64 67.65 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -17.24 19.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -84.48 -22.26 30.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.586 1.179 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.647 ' CB ' HD21 ' A' ' 72' ' ' LEU . . . -58.33 108.84 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -88.56 -23.54 23.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.9 p -143.29 163.05 34.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.6 ptp -162.85 157.7 21.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.414 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 24.3 tt0 -89.65 138.74 31.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.709 HG13 ' HB2' ' A' ' 70' ' ' HIS . 3.1 t -115.4 93.65 36.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.431 ' HD2' ' CE1' ' A' ' 70' ' ' HIS . 18.2 Cg_endo -74.99 -165.01 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.792 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 46.98 65.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.632 HD12 HG13 ' A' ' 34' ' ' VAL . 72.4 mt -124.09 146.36 48.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.515 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 4.0 m120 -86.17 116.74 66.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.424 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.5 Cg_endo -74.95 151.56 39.93 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.539 1.81 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.433 ' CD2' ' O ' ' A' ' 89' ' ' PHE . 38.9 t80 54.92 42.31 31.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.1 m -147.77 139.12 23.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 62.9 m -74.64 118.89 18.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 108.304 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.753 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.8 m-85 -136.35 151.8 49.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.726 ' HB2' HG21 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -119.56 160.4 22.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 55' ' ' ALA . 62.7 m-85 -143.96 156.11 44.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.408 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 5.5 ptp180 -139.86 -169.74 2.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.573 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -135.38 164.38 27.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -167.65 144.57 4.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.451 ' HB2' ' CG ' ' A' ' 18' ' ' PRO . 35.7 mt-30 -113.81 148.27 36.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.621 ' H ' HG23 ' A' ' 48' ' ' ILE . 23.4 t -135.45 126.55 44.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.354 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -135.67 -178.67 5.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -11.9 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.694 HG21 ' O ' ' A' ' 16' ' ' GLU . 97.7 t -80.27 -72.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.467 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -163.92 -145.16 4.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.452 1.095 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.6 109.43 10.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 110.396 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.4 p -53.08 160.84 1.42 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 109.978 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.78 13.92 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.94 25.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.456 1.767 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 t -94.48 165.89 12.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.08 136.83 57.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 153.46 41.7 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.788 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.4 p -80.25 164.33 23.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.053 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -53.36 151.65 5.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 119.85 12.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.2 pp -112.94 168.08 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -126.47 108.07 10.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.424 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 36.6 p -57.82 157.86 7.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.439 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.4 mt -67.68 175.83 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -74.99 147.7 34.33 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.495 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -74.98 167.06 27.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.894 ' O ' HG21 ' A' ' 102' ' ' VAL . 47.7 mt-10 -119.74 175.97 5.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.541 HD21 ' HA3' ' A' ' 103' ' ' GLY . 10.5 mt -76.83 153.61 83.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.2 Cg_endo -75.05 -161.13 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.544 1.813 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -134.0 168.86 23.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.15 5.17 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.477 1.777 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 136.58 20.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.1 p -112.48 -167.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 62.54 30.04 17.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.6 HD11 ' HB2' ' A' ' 96' ' ' MET . 0.1 OUTLIER -72.51 147.64 45.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.0 137.25 2.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.452 ' CD1' ' CB ' ' A' ' 111' ' ' SER . 5.3 mp -111.78 117.49 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.3 t -122.91 166.93 14.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.088 . . . . 0.0 109.966 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 58.72 42.63 19.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.551 HD13 ' HB ' ' A' ' 114' ' ' ILE . 24.4 mt -64.28 121.17 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -100.12 -155.55 27.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -57.41 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.769 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -130.28 24.12 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.77 136.85 16.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.725 HG13 HD12 ' A' ' 86' ' ' LEU . 1.8 m -144.41 163.6 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 26' ' ' ILE . 3.4 m -104.59 123.68 47.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.453 HD11 ' HB3' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -101.67 129.92 47.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -113.63 155.72 24.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -178.47 -177.33 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -149.82 134.98 9.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 109.81 3.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.63 -71.89 0.93 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.51 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 12.1 t80 -125.52 100.67 6.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.79 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -55.03 -51.43 66.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.51 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 110.63 33.61 2.42 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.483 1.114 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt 61.56 35.61 17.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -172.16 123.93 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.366 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 m -55.8 147.78 18.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.535 HG13 ' CH2' ' A' ' 51' ' ' TRP . 7.4 mm -67.0 144.78 14.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.6 t -92.02 -31.98 15.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.485 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -169.59 140.25 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.535 ' CH2' HG13 ' A' ' 48' ' ' ILE . 23.0 m95 -96.16 136.7 36.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.042 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.946 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -107.76 130.32 54.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 95' ' ' ARG . 47.7 t -122.41 104.97 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.472 ' HB2' ' CG ' ' A' ' 95' ' ' ARG . 9.5 mt-10 -104.45 159.14 15.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -148.83 164.0 35.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.583 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 4.1 mt-30 -120.08 143.08 48.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.147 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.577 ' HA ' ' CE1' ' A' ' 92' ' ' TYR . 1.6 p -89.24 132.44 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.894 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 37.26 -96.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 59' ' ' VAL . 12.2 p -45.95 97.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 58' ' ' GLY . 79.1 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.622 ' CD2' ' CZ ' ' A' ' 95' ' ' ARG . 5.4 m95 -114.91 107.01 14.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 108.034 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mt -88.21 151.48 22.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.946 HD13 ' HG ' ' A' ' 52' ' ' LEU . 9.1 tp -78.14 153.31 32.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.552 HD11 HG11 ' A' ' 83' ' ' VAL . 3.8 pt -133.2 -48.32 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.77 ' HB2' HG13 ' A' ' 83' ' ' VAL . 41.1 t60 -129.29 151.28 50.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.597 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.455 ' OE1' HD21 ' A' ' 68' ' ' LEU . 17.0 pt20 -155.95 127.45 7.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.495 HD11 ' OE2' ' A' ' 75' ' ' GLU . 42.3 tp -104.01 109.39 21.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.14 155.75 16.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.5 t30 40.95 77.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.495 ' OE2' HD11 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 176.97 64.95 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.316 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.78 8.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -115.44 50.48 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.08 108.12 9.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -76.5 -33.5 58.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.5 p -143.3 168.55 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -165.72 158.46 15.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.453 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 23.5 tt0 -84.56 139.9 31.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.77 HG13 ' HB2' ' A' ' 70' ' ' HIS . 8.4 t -113.66 94.12 31.24 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -164.77 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 t70 44.63 65.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.725 HD12 HG13 ' A' ' 34' ' ' VAL . 42.3 mt -120.41 142.16 49.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 0.7 OUTLIER -88.12 113.61 55.71 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.483 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.4 Cg_endo -74.96 146.15 32.48 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.2 t80 68.71 37.4 2.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.0 m -148.12 138.03 22.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.353 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 69.2 m -77.07 117.43 18.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 108.299 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 56' ' ' GLN . 4.2 m-85 -136.51 162.12 33.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.604 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 73.8 m -119.48 -176.92 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 93' ' ' SER . 52.2 m-85 -156.77 127.36 6.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.622 ' CZ ' ' CD2' ' A' ' 66' ' ' TRP . 5.8 ptp180 -127.14 144.78 50.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.6 ' HB2' HD11 ' A' ' 24' ' ' LEU . 17.4 mmm -97.19 160.07 14.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -156.6 148.54 22.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -114.37 148.18 38.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.943 HG22 ' OG1' ' A' ' 104' ' ' THR . 91.9 t -139.53 124.54 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -133.09 -179.77 5.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.401 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.4 OUTLIER -61.48 -13.55 8.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.894 HG21 ' O ' ' A' ' 16' ' ' GLU . 24.8 t -79.95 -70.16 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.541 ' HA3' HD21 ' A' ' 17' ' ' LEU . . . -165.74 -150.19 6.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.943 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -126.9 101.66 6.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 110.408 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 p -42.44 163.31 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.08 13.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 140.19 25.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.5 t -94.3 166.9 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.74 137.74 24.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.56 42.13 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.452 ' CB ' ' CD1' ' A' ' 26' ' ' ILE . 53.3 p -75.66 167.03 22.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.954 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -64.27 159.51 20.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 113.57 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.551 ' HB ' HD13 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -107.54 -174.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -147.55 109.54 4.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 18.1 p -66.51 144.44 56.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.369 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 39.2 mt -64.16 176.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.274 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.535 HG13 ' HD2' ' A' ' 14' ' ' PRO . 60.2 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.535 ' HD2' HG13 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 147.65 34.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.492 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.05 161.0 39.32 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.618 ' O ' HG21 ' A' ' 102' ' ' VAL . 48.9 mt-10 -117.3 176.89 4.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.506 HD21 ' CA ' ' A' ' 103' ' ' GLY . 8.3 mt -77.65 152.17 80.46 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -161.58 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.49 167.32 20.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 120.0 5.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 145.25 31.05 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.518 1.799 . . . . 0.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.0 p -120.48 -168.07 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.365 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 63.29 24.93 14.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.464 HD11 ' HB2' ' A' ' 96' ' ' MET . 0.2 OUTLIER -68.12 133.57 49.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.32 142.42 7.71 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.555 1.16 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.453 HG22 HG13 ' A' ' 29' ' ' ILE . 4.6 mp -111.05 129.37 66.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.3 m -130.19 168.97 15.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 50.28 43.47 26.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.453 HG13 HG22 ' A' ' 26' ' ' ILE . 7.4 mt -56.69 110.2 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.08 -169.62 46.13 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -44.15 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -134.05 10.8 3.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.3 139.78 24.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.971 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.671 HG13 HD12 ' A' ' 86' ' ' LEU . 2.4 m -140.92 165.28 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 m -106.87 110.12 22.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.368 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 tt -92.76 116.0 28.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -99.97 142.58 31.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.565 ' CE1' ' O ' ' A' ' 79' ' ' ARG . 20.6 p90 -157.18 179.26 9.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -145.72 129.79 8.66 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 115.29 4.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.81 . . . . 0.0 110.966 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.33 -78.72 0.54 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -127.41 124.49 38.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.26 -59.34 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.13 36.75 1.19 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.6 mttt 79.27 3.0 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.45 HG23 ' HB2' ' A' ' 100' ' ' ASN . 4.1 t -153.52 126.08 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.452 ' C ' HD13 ' A' ' 48' ' ' ILE . 2.2 m -55.18 -175.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.551 HG23 ' H ' ' A' ' 99' ' ' VAL . 5.3 mm -94.62 147.93 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.49 -26.63 13.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.461 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 3.7 tmm_? -169.94 142.26 2.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.453 ' CH2' HG13 ' A' ' 48' ' ' ILE . 19.8 m95 -99.37 129.13 45.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.018 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.968 ' HG ' HD13 ' A' ' 68' ' ' LEU . 2.9 tp -102.25 126.43 49.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.422 ' O ' HD12 ' A' ' 68' ' ' LEU . 36.4 t -116.76 106.61 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.416 ' OE1' ' NH2' ' A' ' 97' ' ' ARG . 39.5 mt-10 -100.43 163.82 12.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -162.62 160.26 25.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.46 146.82 45.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.773 HG22 ' OH ' ' A' ' 92' ' ' TYR . 45.3 t -81.07 133.03 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.635 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 35.03 -100.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 59' ' ' VAL . 6.4 p -40.56 103.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 58' ' ' GLY . 97.0 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.517 ' CH2' ' HB3' ' A' ' 93' ' ' SER . 5.6 m95 -114.48 128.43 56.33 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mt -107.74 154.97 20.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.968 HD13 ' HG ' ' A' ' 52' ' ' LEU . 9.1 tp -76.92 154.52 33.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.557 HD11 HG11 ' A' ' 83' ' ' VAL . 6.2 pt -135.06 -46.88 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.771 ' HB2' HG13 ' A' ' 83' ' ' VAL . 57.5 t60 -132.2 135.46 46.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.615 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.438 ' HG2' HD21 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -140.2 118.46 12.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.3 tp -103.95 117.28 33.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 m -104.73 148.04 27.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.434 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 71.5 m-80 59.89 87.03 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER 164.63 68.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.27 7.95 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -101.82 -43.28 5.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -43.42 111.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.565 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -91.7 -26.26 18.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.348 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.53 160.2 41.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.965 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -163.95 160.64 22.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -82.91 142.79 31.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.771 HG13 ' HB2' ' A' ' 70' ' ' HIS . 22.9 t -117.78 93.75 44.58 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.418 ' HD2' ' ND1' ' A' ' 70' ' ' HIS . 18.1 Cg_endo -74.98 -163.91 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.444 1.76 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 t0 48.51 65.47 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.671 HD12 HG13 ' A' ' 34' ' ' VAL . 84.6 mt -125.82 150.45 47.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -88.55 120.54 70.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.481 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -75.03 139.99 24.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.0 t80 61.91 46.1 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 78.1 m -148.07 136.59 21.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.344 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 61.6 m -74.48 124.54 26.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 108.288 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.773 ' OH ' HG22 ' A' ' 57' ' ' VAL . 2.1 m-85 -143.53 162.55 35.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.559 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 4.6 t -119.46 173.31 7.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.983 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 93' ' ' SER . 45.9 m-85 -157.17 140.75 15.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.25 -168.86 2.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.467 ' HE2' ' CD2' ' A' ' 38' ' ' PHE . 18.9 mmm -142.56 159.58 41.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.416 ' NH2' ' OE1' ' A' ' 54' ' ' GLU . 17.4 mtt180 -157.16 150.54 24.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -115.69 141.72 47.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.936 HG22 ' OG1' ' A' ' 104' ' ' THR . 78.9 t -128.82 125.24 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.45 ' HB2' HG23 ' A' ' 46' ' ' THR . 32.6 p-10 -131.21 -179.53 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -13.49 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.618 HG21 ' O ' ' A' ' 16' ' ' GLU . 93.4 t -81.05 -80.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.506 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -156.56 -155.52 7.46 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.936 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -119.72 103.58 9.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.783 . . . . 0.0 110.457 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.23 165.89 0.13 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.041 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 174.41 12.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.475 1.776 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 139.18 23.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.5 t -94.4 158.3 15.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -47.01 137.57 7.81 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.54 42.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.79 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 p -77.43 174.67 10.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.038 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -69.09 168.42 13.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.62 121.37 18.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 pp -117.96 170.16 7.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -134.16 120.1 19.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.347 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.6 p -75.37 156.81 35.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 20.5 mt -73.98 178.05 5.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -74.99 147.81 34.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.555 ' HG2' HG22 ' A' ' 102' ' ' VAL . 18.5 Cg_endo -74.96 156.39 43.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -111.88 167.98 9.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 17' ' ' LEU . 8.2 mt -77.01 153.81 82.75 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.5 Cg_endo -74.97 -176.89 3.1 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.443 1.759 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.56 173.66 18.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.26 5.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 156.94 42.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.773 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.5 p -125.2 -165.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.42 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.3 m120 61.44 34.44 18.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.342 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.64 HD11 ' HG3' ' A' ' 96' ' ' MET . 0.1 OUTLIER -79.49 132.11 36.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -145.66 159.44 27.92 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.742 HG22 HD11 ' A' ' 29' ' ' ILE . 15.7 mm -124.4 104.44 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.54 172.61 10.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 46.69 52.79 10.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.742 HD11 HG22 ' A' ' 26' ' ' ILE . 62.4 mt -77.89 101.53 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.92 -158.87 29.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.429 1.081 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -56.9 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.523 1.801 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -126.96 21.59 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.427 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 0.8 OUTLIER -151.45 143.2 23.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.763 HG13 HD12 ' A' ' 86' ' ' LEU . 2.2 m -151.23 153.27 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.0 m -95.43 129.58 42.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.562 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -114.6 119.48 36.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -99.73 141.46 32.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.592 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 30.0 p90 -156.04 -179.59 8.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -148.5 136.0 10.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 106.75 2.34 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.31 -45.0 32.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 25.1 t80 -157.78 97.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 110.999 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.558 ' HA ' HD11 ' A' ' 48' ' ' ILE . 16.9 m-20 -59.41 -57.34 13.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.66 41.56 0.29 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt 49.82 28.46 2.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 0.0 109.298 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 47' ' ' SER . 7.5 t -156.96 24.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.463 ' O ' HD13 ' A' ' 48' ' ' ILE . 6.3 t 43.64 -166.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.619 HD12 ' HB3' ' A' ' 98' ' ' GLN . 25.2 mm -113.23 144.85 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.08 -34.57 11.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -159.57 137.88 10.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.53 ' CZ3' HG13 ' A' ' 48' ' ' ILE . 18.5 m95 -97.12 124.11 41.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 107.98 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.881 ' HG ' HD13 ' A' ' 68' ' ' LEU . 3.4 tp -95.85 143.43 27.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.0 t -134.14 114.01 18.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -108.23 169.49 8.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -163.47 161.56 24.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.4 137.91 54.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.245 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.773 HG22 ' OH ' ' A' ' 92' ' ' TYR . 29.4 t -76.07 134.99 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.877 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.42 -98.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.573 1.171 . . . . 0.0 111.027 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 57' ' ' VAL . 3.1 p -41.1 118.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 58' ' ' GLY . 72.1 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.601 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 11.3 m95 -118.35 113.1 20.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.002 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.3 mt -102.67 158.2 16.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.881 HD13 ' HG ' ' A' ' 52' ' ' LEU . 2.4 tp -73.19 151.03 41.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.55 HG21 ' HB3' ' A' ' 55' ' ' ALA . 7.0 pt -132.19 -44.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.466 ' CB ' HG13 ' A' ' 83' ' ' VAL . 79.9 t60 -136.01 137.05 40.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.621 ' HB3' HD11 ' A' ' 68' ' ' LEU . 22.6 pt20 -142.13 124.61 15.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.7 tp -106.75 124.18 49.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.3 OUTLIER -108.64 163.13 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 0.8 OUTLIER 38.93 83.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.474 ' OE2' ' HB2' ' A' ' 78' ' ' ALA . 0.0 OUTLIER 166.48 67.86 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -26.88 10.47 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.461 1.769 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -69.92 -35.98 74.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.474 ' HB2' ' OE2' ' A' ' 75' ' ' GLU . . . -48.87 116.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -97.12 -21.32 17.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.299 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.2 p -143.27 165.15 28.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.06 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -169.81 162.14 9.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -89.37 145.26 25.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 110.342 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.466 HG13 ' CB ' ' A' ' 70' ' ' HIS . 16.0 t -114.14 93.59 31.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 85' ' ' ASP . 18.2 Cg_endo -74.99 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.462 1.769 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.554 ' O ' HD23 ' A' ' 86' ' ' LEU . 21.8 t0 40.13 69.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.763 HD12 HG13 ' A' ' 34' ' ' VAL . 19.7 mt -122.29 150.58 42.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -87.58 115.29 62.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.421 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.3 Cg_endo -74.98 155.72 43.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.402 ' CD2' ' O ' ' A' ' 89' ' ' PHE . 35.1 t80 47.75 42.34 15.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.953 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.4 m -147.43 136.4 22.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 57.0 m -74.4 114.08 12.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 108.256 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.773 ' OH ' HG22 ' A' ' 57' ' ' VAL . 2.2 m-85 -135.34 158.3 44.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 110.968 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.557 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 4.0 t -119.54 177.12 5.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.401 ' CG ' ' C ' ' A' ' 93' ' ' SER . 59.6 m-85 -156.8 135.13 11.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.601 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 5.6 ptp180 -122.63 -170.35 2.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.64 ' HG3' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -131.61 166.36 21.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.442 ' HD3' ' CG2' ' A' ' 104' ' ' THR . 6.6 mtt180 -170.25 143.97 2.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.619 ' HB3' HD12 ' A' ' 48' ' ' ILE . 70.5 mt-30 -113.81 138.47 50.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 1.041 HG22 ' OG1' ' A' ' 104' ' ' THR . 55.5 t -127.75 120.56 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 103' ' ' GLY . 34.4 p-10 -123.68 174.34 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.45 ' H ' HG22 ' A' ' 101' ' ' ILE . 1.2 tt -54.89 -18.87 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.555 HG22 ' HG2' ' A' ' 15' ' ' PRO . 38.2 t -80.44 -73.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' ' OD1' ' A' ' 100' ' ' ASN . . . -164.09 -144.29 3.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.431 1.082 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . 1.041 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -130.59 148.15 52.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.767 . . . . 0.0 110.408 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.408 ' CB ' ' CD ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -82.05 173.78 7.1 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.984 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 105' ' ' SER . 18.4 Cg_endo -75.01 168.09 25.6 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.477 1.777 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.407 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -75.02 136.1 19.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.1 t -94.8 149.44 21.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.8 147.84 0.39 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 149.26 36.28 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.0 p -77.61 155.5 31.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.028 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -43.66 149.35 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.44 139.11 51.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.484 ' HB ' HD13 ' A' ' 29' ' ' ILE . 2.0 pp -139.57 176.09 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.6 118.87 20.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 22.5 p -68.96 149.8 48.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 54.1 mt -68.02 173.24 4.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.571 HG13 ' HD2' ' A' ' 14' ' ' PRO . 62.4 t . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.571 ' HD2' HG13 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 147.93 34.57 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.432 1.754 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.491 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -75.04 161.42 38.66 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.929 ' O ' HG21 ' A' ' 102' ' ' VAL . 43.7 mt-10 -111.59 175.74 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.522 HD21 ' HA3' ' A' ' 103' ' ' GLY . 12.2 mt -77.76 154.96 80.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -166.37 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.541 1.811 . . . . 0.0 111.053 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.34 164.82 20.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 120.11 5.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.97 37.39 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.465 1.771 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.7 p -124.85 -166.3 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.359 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 m120 61.49 31.7 18.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.67 133.07 42.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.626 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -152.22 153.56 24.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.495 HG22 ' CG1' ' A' ' 29' ' ' ILE . 10.5 mm -110.61 117.51 55.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.9 t -129.48 166.13 20.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 42.2 55.79 3.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.495 ' CG1' HG22 ' A' ' 26' ' ' ILE . 8.5 mt -71.27 100.55 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.74 -168.57 39.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -50.04 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -128.64 11.28 6.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.09 139.04 23.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.97 HG13 HD12 ' A' ' 86' ' ' LEU . 1.5 m -143.69 161.86 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 m -106.37 120.1 40.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 25' ' ' GLY . 0.4 OUTLIER -106.94 122.61 46.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -101.11 143.03 31.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.548 ' CE2' ' HE1' ' A' ' 96' ' ' MET . 11.3 p90 -154.22 -174.73 5.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -149.87 130.65 7.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 109.87 3.01 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.45 -54.53 25.84 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.443 1.09 . . . . 0.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.564 ' CE2' ' HA2' ' A' ' 44' ' ' GLY . 47.9 t80 -157.61 137.69 12.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -81.48 -61.52 1.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.564 ' HA2' ' CE2' ' A' ' 42' ' ' TYR . . . 119.81 33.81 1.04 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 44' ' ' GLY . 5.3 mttt 89.09 -22.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.8 t -127.85 130.57 48.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.0 p -55.59 -179.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' A' ' 98' ' ' GLN . 19.7 mm -90.84 146.12 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.2 m -98.17 -27.67 14.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.483 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -171.22 143.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.45 ' CH2' HG13 ' A' ' 48' ' ' ILE . 13.2 m95 -99.64 143.61 29.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.005 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.958 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -112.49 133.21 54.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.2 t -127.51 104.8 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -101.13 164.64 11.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -151.34 163.86 37.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -120.14 140.24 51.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.805 HG22 ' OH ' ' A' ' 92' ' ' TYR . 26.3 t -80.44 128.21 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.992 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.78 -96.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 57' ' ' VAL . 98.4 t -40.77 107.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.992 HG23 ' O ' ' A' ' 58' ' ' GLY . 84.3 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.602 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 8.5 m95 -111.26 114.37 27.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 107.968 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.8 mt -104.54 158.44 16.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.958 HD13 ' HG ' ' A' ' 52' ' ' LEU . 5.2 tp -78.05 152.49 32.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.439 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 3.4 pt -136.99 -47.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.732 ' CB ' HG13 ' A' ' 83' ' ' VAL . 85.5 t60 -127.65 140.22 52.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.611 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.556 ' HB3' HD11 ' A' ' 68' ' ' LEU . 18.8 pt20 -149.19 124.84 10.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.3 tp -103.55 114.34 28.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 74' ' ' ASN . 3.6 m -98.18 155.53 17.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 73' ' ' SER . 3.5 t30 40.21 84.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 173.07 65.05 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -2.51 12.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.468 1.772 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.05 48.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.07 99.52 6.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -65.04 -36.55 84.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.238 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.4 p -143.74 167.71 21.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.9 ptp -160.28 157.93 28.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.487 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 12.8 tt0 -87.87 140.14 29.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.253 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.732 HG13 ' CB ' ' A' ' 70' ' ' HIS . 24.4 t -114.09 93.58 30.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.423 ' HD2' ' ND1' ' A' ' 70' ' ' HIS . 18.3 Cg_endo -75.0 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.568 ' O ' HD23 ' A' ' 86' ' ' LEU . 2.6 t70 44.86 63.75 1.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.97 HD12 HG13 ' A' ' 34' ' ' VAL . 17.3 mt -120.38 140.79 50.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -86.29 114.2 56.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.489 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.2 Cg_endo -75.02 150.2 37.72 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.426 1.751 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.6 t80 62.58 36.99 13.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.1 m -147.71 136.28 21.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.389 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 57.4 m -74.61 114.04 12.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.281 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.805 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.3 m-85 -133.46 160.42 37.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.506 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -119.13 175.27 5.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 93' ' ' SER . 58.6 m-85 -154.41 141.83 19.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.602 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 4.5 ptp180 -130.97 -169.93 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.548 ' HE1' ' CE2' ' A' ' 38' ' ' PHE . 22.5 mmm -141.24 159.9 41.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -160.11 155.68 25.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.596 ' HB3' HD12 ' A' ' 48' ' ' ILE . 61.8 mt-30 -119.5 136.06 54.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.476 HG22 ' OG1' ' A' ' 104' ' ' THR . 10.7 t -124.48 121.23 61.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 36.2 p30 -132.86 179.56 6.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.407 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.4 OUTLIER -60.27 -15.14 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.929 HG21 ' O ' ' A' ' 16' ' ' GLU . 19.9 t -80.25 -63.71 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.522 ' HA3' HD21 ' A' ' 17' ' ' LEU . . . -177.37 -151.29 9.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.476 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -122.52 114.75 21.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 0.0 110.427 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.22 166.05 0.45 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 173.94 13.63 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.418 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.3 Cg_endo -75.01 136.81 20.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 t -93.97 164.31 13.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.057 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.05 132.62 22.92 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 152.67 41.38 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.487 1.782 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.1 p -79.02 159.0 27.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.023 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -57.58 157.41 7.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.97 114.0 4.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.429 HD11 ' HE2' ' A' ' 94' ' ' PHE . 1.5 pp -107.25 166.29 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -122.14 116.09 23.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 p -72.87 150.81 42.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.386 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.489 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 36.0 mt -65.34 174.4 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.462 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 39.7 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.462 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.05 147.33 33.59 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.532 1.806 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 18.4 Cg_endo -74.94 164.21 33.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 75.5 mm-40 -122.43 -179.32 4.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.476 HD21 ' CA ' ' A' ' 103' ' ' GLY . 7.3 mt -82.26 152.84 68.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.3 Cg_endo -75.01 -163.11 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.477 1.777 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.25 169.31 21.79 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.92 4.73 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 142.87 28.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.77 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.7 p -121.65 -165.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m120 64.86 25.42 12.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 96' ' ' MET . 0.1 OUTLIER -69.32 137.15 52.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.498 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -148.91 163.94 29.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.609 HD13 ' HG ' ' A' ' 36' ' ' LEU . 4.9 mm -127.04 105.41 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 98.5 p -121.36 172.87 7.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 41.59 54.03 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.519 ' CG1' HG22 ' A' ' 26' ' ' ILE . 27.5 mt -71.28 101.27 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.51 -168.58 42.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.29 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -135.3 12.39 3.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.16 139.65 23.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.957 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.661 HG13 HD12 ' A' ' 86' ' ' LEU . 1.4 m -144.02 164.67 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.2 m -106.14 116.11 31.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.609 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -101.88 116.32 32.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -99.71 142.4 31.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.418 ' CE1' ' HE3' ' A' ' 81' ' ' MET . 29.8 p90 -154.03 178.51 9.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.06 131.64 10.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.344 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 106.84 2.35 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.04 -63.5 3.79 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 2.2 t80 -136.2 101.28 4.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 0.732 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.53 -50.51 71.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.478 ' O ' HG22 ' A' ' 46' ' ' THR . . . 109.67 43.77 1.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt 54.85 32.97 18.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 44' ' ' GLY . 6.9 t -170.59 126.78 0.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.415 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.1 m -59.1 147.99 32.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.41 HG13 ' CH2' ' A' ' 51' ' ' TRP . 7.3 mm -65.86 141.8 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.9 -28.63 17.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.97 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.441 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -168.42 141.54 3.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.237 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.41 ' CH2' HG13 ' A' ' 48' ' ' ILE . 32.5 m95 -98.94 135.22 40.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 108.008 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.901 ' HG ' HD13 ' A' ' 68' ' ' LEU . 1.2 tp -106.58 130.54 54.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.8 t -125.11 104.76 13.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.456 ' OE2' ' N ' ' A' ' 68' ' ' LEU . 3.3 mt-10 -98.85 166.4 11.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.543 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -162.57 155.3 19.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.453 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 1.5 mt-30 -116.75 131.9 56.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.776 HG13 ' OH ' ' A' ' 92' ' ' TYR . 46.5 t -72.04 133.57 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.522 ' O ' HG12 ' A' ' 60' ' ' VAL . . . 37.48 -95.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.649 HG13 ' O ' ' A' ' 59' ' ' VAL . 7.4 p -52.64 98.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.944 HG21 ' HB2' ' A' ' 93' ' ' SER . 3.3 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.596 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 8.3 m95 -120.14 133.23 55.56 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 66' ' ' TRP . 12.0 mt -119.27 154.56 33.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.901 HD13 ' HG ' ' A' ' 52' ' ' LEU . 1.2 tp -75.87 149.71 37.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.501 HD13 ' HB3' ' A' ' 55' ' ' ALA . 3.5 pt -134.46 -45.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.569 ' CD2' ' O ' ' A' ' 82' ' ' GLU . 28.8 t60 -130.69 139.82 50.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.592 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.678 ' HB3' HD11 ' A' ' 68' ' ' LEU . 14.1 pt20 -146.16 128.43 15.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 75' ' ' GLU . 23.8 tp -103.59 116.56 32.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.6 m -99.39 154.77 17.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 40.49 84.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.52 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.0 OUTLIER 169.91 66.3 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -20.0 17.23 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -77.41 -37.21 52.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.48 ' CB ' HD21 ' A' ' 72' ' ' LEU . . . -43.92 116.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -27.25 17.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.246 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.8 p -143.1 162.88 34.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.418 ' HE3' ' CE1' ' A' ' 38' ' ' PHE . 3.5 ptt? -164.42 162.11 21.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.569 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 13.3 tt0 -89.86 146.09 24.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.542 ' O ' HD11 ' A' ' 86' ' ' LEU . 11.1 t -116.97 94.21 43.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.422 ' HD2' ' ND1' ' A' ' 70' ' ' HIS . 18.4 Cg_endo -74.98 -163.27 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.412 ' O ' HD23 ' A' ' 86' ' ' LEU . 7.2 m-20 47.22 60.08 3.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.661 HD12 HG13 ' A' ' 34' ' ' VAL . 58.3 mt -119.39 142.69 47.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -87.13 121.42 71.49 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.44 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.4 Cg_endo -74.98 154.59 42.72 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.6 t80 49.65 42.59 23.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 99.6 m -147.65 138.21 23.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.432 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 58.8 m -74.37 120.37 19.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 108.308 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.776 ' OH ' HG13 ' A' ' 57' ' ' VAL . 2.0 m-85 -139.4 156.78 46.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.16 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.944 ' HB2' HG21 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -119.35 171.32 8.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.051 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.422 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 79.7 m-85 -154.37 144.91 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.596 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 6.2 ptp180 -133.3 -172.55 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.479 ' HB2' HD11 ' A' ' 24' ' ' LEU . 22.9 mmm -140.23 159.73 41.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -155.7 163.73 39.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -128.39 128.17 43.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.962 HG22 ' OG1' ' A' ' 104' ' ' THR . 23.6 t -118.49 127.95 75.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 103' ' ' GLY . 47.6 p-10 -133.98 178.03 7.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.44 ' H ' HG22 ' A' ' 101' ' ' ILE . 0.1 OUTLIER -53.01 -34.48 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 85.4 t -65.29 -75.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.476 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -162.3 -154.59 7.62 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.962 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -118.0 129.94 55.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.764 . . . . 0.0 110.374 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.7 166.55 7.26 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 173.8 13.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.413 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -74.97 135.9 19.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.448 1.762 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.9 t -94.26 167.76 11.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.965 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -55.46 134.41 70.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.263 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 153.47 41.46 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.0 p -78.6 145.86 34.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.406 ' O ' HG23 ' A' ' 114' ' ' ILE . 0.9 OUTLIER -45.38 156.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 110.282 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 115.93 4.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 112' ' ' ARG . 1.1 pp -106.14 172.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -131.85 108.88 9.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.44 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 70.1 p -66.47 167.15 11.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.402 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 23.1 mt -82.65 176.72 9.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.359 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.02 147.44 33.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.474 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.4 Cg_endo -74.97 160.42 40.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.443 1.759 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.487 ' O ' HG21 ' A' ' 102' ' ' VAL . 77.6 mm-40 -116.31 177.39 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.534 HD21 ' CA ' ' A' ' 103' ' ' GLY . 7.4 mt -77.65 150.77 79.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.494 ' CG ' ' HB3' ' A' ' 98' ' ' GLN . 18.2 Cg_endo -75.03 -165.56 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.92 168.76 21.18 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 119.47 5.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 135.85 19.54 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.481 1.78 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.4 p -109.56 -166.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.368 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 61.47 30.86 19.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.42 131.18 41.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -150.31 146.78 16.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.611 HD13 ' HG ' ' A' ' 36' ' ' LEU . 3.3 mm -113.68 106.66 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.749 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.6 m -120.17 172.25 7.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 47.35 53.99 10.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.474 HD13 ' HB ' ' A' ' 114' ' ' ILE . 24.2 mt -75.1 100.88 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.36 -160.41 29.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -50.31 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.09 12.78 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.434 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 2.5 m -143.19 146.1 33.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.859 HG13 HD12 ' A' ' 86' ' ' LEU . 1.5 m -151.64 160.33 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.6 m -99.09 133.85 42.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.424 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.611 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -115.41 132.16 56.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -120.52 140.75 51.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 38' ' ' PHE . 11.5 p90 -156.07 -171.12 3.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.6 mtt85 -153.69 133.71 7.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 105.8 2.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.449 1.762 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.35 -65.18 3.43 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.479 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 8.1 t80 -142.7 91.91 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' TYR . 61.5 m-20 -40.37 -61.72 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.479 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 121.7 37.93 0.64 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 58.33 36.7 25.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -171.43 118.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 p -47.04 146.94 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.579 HG13 ' CH2' ' A' ' 51' ' ' TRP . 5.5 mm -65.75 143.73 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.55 -39.31 12.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -171.2 141.88 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.579 ' CH2' HG13 ' A' ' 48' ' ' ILE . 4.9 m95 -97.18 137.82 35.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 107.995 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.936 ' HG ' HD13 ' A' ' 68' ' ' LEU . 1.2 tp -107.76 128.57 54.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -121.52 106.2 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -101.91 171.57 7.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -161.4 158.65 27.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -116.65 158.66 23.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.853 HG22 ' OH ' ' A' ' 92' ' ' TYR . 93.3 t -96.18 127.61 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.895 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.55 -95.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 57' ' ' VAL . 53.7 t -41.17 98.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 58' ' ' GLY . 65.8 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.488 ' HG3' ' CD2' ' A' ' 67' ' ' LEU . 1.7 pt-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.43 ' CD1' ' NH2' ' A' ' 95' ' ' ARG . 8.2 m95 -126.95 128.89 47.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 107.982 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.488 ' CD2' ' HG3' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -103.74 149.51 24.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.936 HD13 ' HG ' ' A' ' 52' ' ' LEU . 3.1 tp -76.7 151.04 36.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.452 HD11 HG11 ' A' ' 83' ' ' VAL . 6.6 pt -136.42 -45.67 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.744 ' CB ' HG13 ' A' ' 83' ' ' VAL . 69.8 t60 -130.81 139.48 50.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.631 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.678 ' HB3' HD11 ' A' ' 68' ' ' LEU . 15.5 pt20 -147.58 123.22 10.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.0 tp -103.76 116.71 32.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 m -103.29 154.5 19.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.997 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.403 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 8.9 t-20 48.14 84.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.426 ' CD ' ' HB2' ' A' ' 78' ' ' ALA . 0.0 OUTLIER 167.59 70.71 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -23.38 13.82 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.504 1.792 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.32 -37.32 60.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.426 ' HB2' ' CD ' ' A' ' 75' ' ' GLU . . . -42.58 130.04 4.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.1 mmt-85 -112.93 -23.84 9.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.8 p -143.41 152.53 41.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.965 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -156.69 158.07 36.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.443 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 14.8 tt0 -88.14 146.84 25.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.744 HG13 ' CB ' ' A' ' 70' ' ' HIS . 3.8 t -119.38 92.99 46.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -164.42 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.51 ' O ' HD23 ' A' ' 86' ' ' LEU . 8.0 t0 43.88 67.46 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.859 HD12 HG13 ' A' ' 34' ' ' VAL . 11.7 mt -118.63 150.65 39.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -86.44 113.68 53.77 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.425 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.4 Cg_endo -74.97 154.7 42.83 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.519 1.8 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 t80 49.54 38.99 15.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.0 m -146.47 136.26 23.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.418 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 57.6 m -75.25 114.32 13.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 108.339 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.853 ' OH ' HG22 ' A' ' 57' ' ' VAL . 2.0 m-85 -131.76 159.74 37.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.493 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 22.8 p -119.51 171.28 8.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -151.78 143.48 23.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.43 ' NH2' ' CD1' ' A' ' 66' ' ' TRP . 4.3 ptp180 -132.1 -172.46 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.259 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.401 ' HE1' ' CE2' ' A' ' 38' ' ' PHE . 15.3 mmm -137.89 160.29 39.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.418 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 71.2 mtt180 -154.14 148.94 26.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.494 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -117.56 127.9 54.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 1.047 HG22 ' OG1' ' A' ' 104' ' ' THR . 59.2 t -120.97 130.36 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 43.0 p30 -135.02 -179.93 5.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.22 -16.77 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 16' ' ' GLU . 43.7 t -82.17 -79.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.534 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -159.48 -149.16 5.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . 1.047 ' OG1' HG22 ' A' ' 99' ' ' VAL . 1.0 OUTLIER -125.66 131.57 52.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.456 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.98 172.05 6.37 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.959 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 174.01 13.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.418 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.5 Cg_endo -75.02 137.82 22.18 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.502 1.79 . . . . 0.0 111.046 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 t -94.03 156.64 16.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.76 136.52 2.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 151.14 38.97 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.487 1.783 . . . . 0.0 111.047 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.0 p -76.92 140.82 40.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.961 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 65.3 mtt-85 -39.39 155.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 115.26 7.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.474 ' HB ' HD13 ' A' ' 29' ' ' ILE . 2.0 pp -110.3 177.01 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -128.27 127.0 41.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 110.317 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.425 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 21.9 p -84.58 146.1 27.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.431 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 33.0 mt -68.99 173.32 5.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -74.98 147.79 34.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.489 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -74.93 167.42 27.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.74 ' O ' HG21 ' A' ' 102' ' ' VAL . 74.6 mm-40 -122.4 -176.33 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.504 HD21 ' CA ' ' A' ' 103' ' ' GLY . 7.7 mt -84.99 151.06 56.82 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.2 Cg_endo -75.0 -162.45 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.54 164.7 21.66 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 118.29 5.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.66 19.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.772 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.9 p -111.46 -166.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.382 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 62.19 36.46 14.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.26 132.12 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.575 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -153.3 147.55 17.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.667 HG22 ' CG1' ' A' ' 29' ' ' ILE . 22.8 mm -101.32 116.27 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.6 p -128.07 167.64 16.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 109.969 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.9 m120 41.69 53.18 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.667 ' CG1' HG22 ' A' ' 26' ' ' ILE . 6.2 mt -70.47 100.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.42 ' H ' HG12 ' A' ' 34' ' ' VAL . . . -82.91 -165.66 37.85 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -55.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -123.21 -1.63 8.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.16 129.8 34.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.835 HG13 HD12 ' A' ' 86' ' ' LEU . 3.2 m -133.39 168.54 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.7 m -114.64 131.77 56.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -114.19 126.12 54.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -104.34 146.63 28.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -165.71 -169.77 1.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtt85 -147.58 131.8 8.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 101.47 1.47 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.52 -77.93 0.15 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 4.3 t80 -125.49 108.01 11.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -59.41 -40.2 85.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.79 34.52 3.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt 59.2 31.47 21.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 0.736 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.4 t -166.31 128.59 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.8 p -53.5 149.06 8.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 109.99 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.46 HG13 ' CH2' ' A' ' 51' ' ' TRP . 10.8 mm -75.04 136.68 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 t -83.63 -39.75 19.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.456 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -166.87 141.53 4.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.46 ' CH2' HG13 ' A' ' 48' ' ' ILE . 5.8 m95 -97.44 142.72 28.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 108.014 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.908 ' HG ' HD13 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -109.04 136.77 48.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.435 ' O ' HD12 ' A' ' 68' ' ' LEU . 46.9 t -129.61 105.02 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -101.87 159.68 15.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.607 ' HB3' HG21 ' A' ' 69' ' ' ILE . . . -148.55 164.32 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.438 ' CD ' ' NE1' ' A' ' 66' ' ' TRP . 2.0 tt0 -122.87 138.25 54.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.825 HG22 ' OH ' ' A' ' 92' ' ' TYR . 28.3 t -77.47 125.85 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.956 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.98 -95.86 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.542 1.151 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' VAL . 3.1 p -39.99 101.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.557 0.798 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 58' ' ' GLY . 78.2 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.523 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 7.0 m95 -116.59 108.46 15.98 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 67' ' ' LEU . 12.1 mt -99.37 155.49 17.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.908 HD13 ' HG ' ' A' ' 52' ' ' LEU . 13.0 tp -75.32 154.2 37.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.607 HG21 ' HB3' ' A' ' 55' ' ' ALA . 2.2 pt -135.7 -48.31 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.704 ' CB ' HG13 ' A' ' 83' ' ' VAL . 85.7 t60 -127.19 147.4 50.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.621 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.631 ' OE1' HD21 ' A' ' 68' ' ' LEU . 15.6 pt20 -156.17 123.21 5.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 29.9 tp -103.6 114.85 29.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.5 133.92 45.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 t30 68.65 83.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.67 71.03 0.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 1.05 8.17 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -127.18 38.48 4.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -110.56 79.73 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -54.75 -30.31 56.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.097 . . . . 0.0 110.269 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.9 p -143.3 174.31 10.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.1 ptp -168.35 160.35 11.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 111.051 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.532 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 13.8 tt0 -87.55 139.3 30.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.704 HG13 ' CB ' ' A' ' 70' ' ' HIS . 6.2 t -113.45 94.35 31.37 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -165.46 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 40.42 72.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.835 HD12 HG13 ' A' ' 34' ' ' VAL . 76.3 mt -122.97 149.9 43.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -86.26 117.45 68.71 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 151.52 39.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 46.5 44.03 12.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 98.0 m -147.41 139.64 24.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 41.4 m -76.57 126.38 30.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 108.259 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.825 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.9 m-85 -144.83 164.86 29.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.569 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 1.6 t -119.51 173.65 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 93' ' ' SER . 54.3 m-85 -157.1 132.37 9.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.523 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -122.47 -167.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 18.9 mmm -143.25 158.2 43.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -159.39 154.21 24.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.46 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 62.5 mt-30 -118.56 141.61 48.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.529 HG22 ' OG1' ' A' ' 104' ' ' THR . 21.6 t -128.8 126.13 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -134.18 -179.5 5.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -61.06 -13.13 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.74 HG21 ' O ' ' A' ' 16' ' ' GLU . 64.9 t -83.07 -82.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.504 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -159.11 -168.03 20.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.529 ' OG1' HG22 ' A' ' 99' ' ' VAL . 1.0 OUTLIER -108.33 115.22 29.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.733 . . . . 0.0 110.369 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.86 169.08 0.93 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.952 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 174.25 13.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 140.15 25.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.554 1.818 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.8 p -94.02 161.7 14.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -44.91 129.39 5.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.97 41.43 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.5 p -83.86 154.83 23.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -53.85 159.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.61 126.22 29.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.3 pp -117.55 164.66 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.62 113.49 22.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 42.3 p -72.55 153.78 41.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 110.364 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.406 HD12 ' HA2' ' A' ' 30' ' ' GLY . 14.1 mt -64.55 179.45 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -74.96 147.87 34.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.484 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -75.06 164.99 32.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.885 ' O ' HG21 ' A' ' 102' ' ' VAL . 55.4 mt-10 -115.62 175.61 5.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.526 HD21 ' HA3' ' A' ' 103' ' ' GLY . 11.1 mt -76.73 154.33 83.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.3 Cg_endo -75.0 -169.72 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.556 1.819 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 42' ' ' TYR . . . -124.33 163.87 17.94 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.58 6.13 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.433 1.754 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 142.56 27.87 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.554 1.818 . . . . 0.0 110.961 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 p -118.33 -168.7 1.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 60.12 36.03 21.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 96' ' ' MET . 0.1 OUTLIER -75.39 147.53 39.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.57 135.88 2.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.523 ' CD1' ' CB ' ' A' ' 111' ' ' SER . 5.3 mp -104.33 131.38 53.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.789 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.8 p -132.99 165.6 24.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 54.26 46.13 25.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.481 HD13 ' HB ' ' A' ' 114' ' ' ILE . 49.7 mt -64.19 113.61 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.91 -160.79 36.87 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -52.75 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -129.07 13.21 6.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -145.75 142.89 29.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.967 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.738 HG13 HD12 ' A' ' 86' ' ' LEU . 1.5 m -146.38 172.36 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 26' ' ' ILE . 28.3 m -112.45 122.42 47.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.365 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.467 HD11 ' HB3' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -102.77 125.09 49.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -107.04 156.06 19.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.409 ' CE2' ' HE1' ' A' ' 96' ' ' MET . 24.1 p90 -175.53 -170.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -155.92 133.85 6.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 112.8 3.65 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.527 1.804 . . . . 0.0 111.03 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.08 -72.89 0.92 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t80 -127.72 98.41 5.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.789 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.27 -51.18 59.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.0 50.71 0.67 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt 48.41 36.17 6.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 t -172.28 138.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 m -68.97 150.74 47.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.571 HG13 ' CH2' ' A' ' 51' ' ' TRP . 4.8 mm -72.14 137.89 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.26 -31.31 23.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.029 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -170.69 140.55 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.571 ' CH2' HG13 ' A' ' 48' ' ' ILE . 14.4 m95 -97.47 130.04 44.61 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.799 ' HG ' HD13 ' A' ' 68' ' ' LEU . 2.7 tp -99.94 138.15 37.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.5 t -128.27 105.07 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.464 ' OE2' ' CZ ' ' A' ' 97' ' ' ARG . 35.5 mt-10 -98.48 172.85 7.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -166.06 162.57 17.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.544 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -121.75 144.64 48.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.925 HG22 ' OH ' ' A' ' 92' ' ' TYR . 49.3 t -79.05 129.56 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.929 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.26 -96.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' VAL . 73.6 t -40.07 115.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.929 HG23 ' O ' ' A' ' 58' ' ' GLY . 97.4 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.544 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 8.8 m95 -110.06 120.18 41.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 107.991 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.1 mt -109.26 157.82 18.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.799 HD13 ' HG ' ' A' ' 52' ' ' LEU . 1.1 tp -74.84 149.96 39.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.512 HG21 ' HB3' ' A' ' 55' ' ' ALA . 4.3 pt -133.95 -43.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.741 ' CB ' HG13 ' A' ' 83' ' ' VAL . 69.4 t60 -135.42 144.02 46.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.598 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.623 ' HB3' HD11 ' A' ' 68' ' ' LEU . 15.9 pt20 -146.8 129.61 16.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.502 HD21 ' CB ' ' A' ' 78' ' ' ALA . 31.7 tp -104.14 106.42 16.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 m -96.08 146.26 24.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 50.46 82.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.405 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 169.74 66.58 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.24 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.46 8.89 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.66 54.77 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.502 ' CB ' HD21 ' A' ' 72' ' ' LEU . . . -127.27 99.72 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.44 ' HB2' ' NH1' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -64.7 -36.51 84.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.4 p -143.41 170.77 15.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -164.91 157.59 16.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.459 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 19.5 tt0 -85.01 138.67 32.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.741 HG13 ' CB ' ' A' ' 70' ' ' HIS . 10.9 t -113.74 94.19 31.91 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -165.49 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.804 . . . . 0.0 111.035 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.2 t70 40.41 75.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.738 HD12 HG13 ' A' ' 34' ' ' VAL . 36.7 mt -126.87 153.78 45.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -87.28 113.79 55.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.411 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.4 Cg_endo -74.98 153.25 41.73 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.8 t80 48.39 40.98 15.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.8 m -147.44 139.31 24.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 33.1 m -74.52 131.66 41.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 108.347 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.925 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.8 m-85 -151.2 163.46 38.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.549 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 4.5 t -119.58 175.5 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 93' ' ' SER . 54.7 m-85 -157.25 135.7 11.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.428 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -129.07 -176.25 3.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.439 ' HB2' HD11 ' A' ' 24' ' ' LEU . 15.2 mmm -133.86 160.31 38.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.464 ' CZ ' ' OE2' ' A' ' 54' ' ' GLU . 59.1 mtt180 -156.48 157.41 35.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.254 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.408 ' HB2' ' CG ' ' A' ' 18' ' ' PRO . 38.9 mt-30 -123.53 131.5 53.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.968 HG22 ' OG1' ' A' ' 104' ' ' THR . 90.0 t -121.35 124.11 71.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.8 p30 -132.89 -179.31 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.95 -13.41 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.885 HG21 ' O ' ' A' ' 16' ' ' GLU . 20.1 t -82.03 -71.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.526 ' HA3' HD21 ' A' ' 17' ' ' LEU . . . -166.02 -149.69 6.01 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.557 1.161 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.968 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -125.29 111.02 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 0.0 110.385 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 p -50.39 162.89 0.49 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.99 13.57 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.408 ' HB2' ' NH1' ' A' ' 95' ' ' ARG . 18.4 Cg_endo -74.96 137.54 21.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.9 t -94.26 158.75 15.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -39.81 132.47 1.44 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.17 43.0 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.523 ' CB ' ' CD1' ' A' ' 26' ' ' ILE . 80.7 p -77.17 163.8 26.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.43 ' O ' HG23 ' A' ' 114' ' ' ILE . 2.6 mtt-85 -65.63 162.41 18.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.403 ' HE2' HG11 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -65.68 116.24 6.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.481 ' HB ' HD13 ' A' ' 29' ' ' ILE . 1.3 pp -111.4 179.22 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -138.98 125.94 21.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 32.7 p -85.4 149.83 25.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 23.7 mt -71.96 176.24 5.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.731 HG13 ' HD2' ' A' ' 14' ' ' PRO . 59.9 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.731 ' HD2' HG13 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.93 148.05 35.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.468 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.1 Cg_endo -75.08 163.53 34.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.794 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 83.0 mt-10 -122.38 174.55 6.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.497 HD21 ' CA ' ' A' ' 103' ' ' GLY . 8.4 mt -76.91 151.48 82.1 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.432 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.0 Cg_endo -75.05 -161.88 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.42 167.1 21.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 120.75 6.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.777 . . . . 0.0 111.04 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 142.72 28.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.5 p -118.87 -166.15 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.413 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.28 18.11 11.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.498 HD11 ' HG3' ' A' ' 96' ' ' MET . 0.2 OUTLIER -63.69 125.75 25.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.02 150.98 23.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.559 HD13 ' HG ' ' A' ' 36' ' ' LEU . 5.0 mm -108.04 112.96 42.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.0 m -129.09 171.92 11.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 44.7 46.07 8.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.503 HG12 HD13 ' A' ' 114' ' ' ILE . 7.3 mt -60.14 116.36 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.601 ' H ' HG12 ' A' ' 34' ' ' VAL . . . -101.08 -167.27 28.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -67.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.475 1.776 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -116.17 12.99 15.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.28 130.28 11.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.734 HG13 HD12 ' A' ' 86' ' ' LEU . 2.1 m -130.71 178.75 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.4 m -118.31 110.88 18.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.408 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.579 HD11 ' CB ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -93.69 116.92 29.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -96.26 148.92 22.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.534 ' CG ' ' SD ' ' A' ' 96' ' ' MET . 5.7 p90 -166.51 -170.58 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -153.74 131.44 6.22 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 105.09 2.02 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.41 -93.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 6.0 t80 -107.13 104.72 14.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 0.804 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -54.01 -42.89 69.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.4 31.73 3.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt 63.1 28.12 15.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 t -165.87 127.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.6 p -48.95 165.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.965 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.557 HG13 ' CH2' ' A' ' 51' ' ' TRP . 5.4 mm -85.66 145.04 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 p -95.1 -41.05 9.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.477 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -164.16 143.98 7.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.557 ' CH2' HG13 ' A' ' 48' ' ' ILE . 18.3 m95 -99.17 139.78 34.32 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.887 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -111.57 129.65 56.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.7 t -121.24 104.91 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -101.43 161.51 13.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.534 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -163.6 163.72 24.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.547 ' O ' ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -121.51 160.82 23.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.27 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.832 HG22 ' OH ' ' A' ' 92' ' ' TYR . 45.8 t -97.51 132.14 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.928 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 37.71 -95.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' VAL . 73.3 t -42.57 118.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.928 HG23 ' O ' ' A' ' 58' ' ' GLY . 81.5 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.532 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 5.4 m95 -117.38 121.98 42.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.026 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mt -109.2 151.9 25.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.887 HD13 ' HG ' ' A' ' 52' ' ' LEU . 7.4 tp -76.05 151.44 37.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.458 ' CG1' ' N ' ' A' ' 70' ' ' HIS . 1.1 pt -133.98 -49.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CB ' HG13 ' A' ' 83' ' ' VAL . 51.6 t60 -123.07 154.53 38.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.591 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.592 ' OE1' HD21 ' A' ' 68' ' ' LEU . 15.0 pt20 -162.29 125.3 2.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.262 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 73' ' ' SER . 43.2 tp -103.4 130.53 50.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.484 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.6 OUTLIER -54.9 -166.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.987 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.484 ' C ' ' O ' ' A' ' 73' ' ' SER . 1.7 m120 -34.38 -87.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' ASN . 0.1 OUTLIER 38.03 69.2 1.53 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.67 11.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -110.56 33.54 4.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.14 108.04 12.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.478 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -86.18 -25.81 25.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.0 p -143.14 159.82 41.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.436 ' HE1' ' HB2' ' A' ' 51' ' ' TRP . 4.8 ptp -155.36 157.94 37.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -86.11 138.28 32.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.567 HG13 ' CB ' ' A' ' 70' ' ' HIS . 3.8 t -114.08 93.4 30.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -165.87 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.442 1.759 . . . . 0.0 111.031 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.583 ' O ' HD23 ' A' ' 86' ' ' LEU . 51.2 m-20 44.43 66.95 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.734 HD12 HG13 ' A' ' 34' ' ' VAL . 31.5 mt -122.2 153.73 38.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.467 ' OD1' ' CZ ' ' A' ' 92' ' ' TYR . 4.1 m120 -85.78 115.45 61.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.432 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.4 Cg_endo -75.0 142.61 28.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.8 t80 56.73 42.7 26.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.7 m -147.85 141.34 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.382 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 64.3 m -74.28 128.36 35.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 108.32 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.832 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.7 m-85 -146.69 150.15 34.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.534 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -119.23 150.02 40.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.579 ' CB ' HD11 ' A' ' 36' ' ' LEU . 56.1 m-85 -134.19 157.28 46.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.532 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 5.8 ptp180 -139.45 -167.53 2.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.534 ' SD ' ' CG ' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -137.93 159.44 42.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -159.01 143.65 15.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.542 ' HG2' HD12 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -114.32 146.62 40.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.905 HG22 ' OG1' ' A' ' 104' ' ' THR . 59.3 t -136.3 130.51 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 36.3 p-10 -135.23 -178.84 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.407 ' O ' HG13 ' A' ' 101' ' ' ILE . 0.6 OUTLIER -59.38 -14.59 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.238 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 15' ' ' PRO . 96.5 t -81.97 -82.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.497 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -151.66 -158.68 8.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.905 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -118.48 101.33 8.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 0.737 . . . . 0.0 110.399 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.8 163.69 0.14 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.82 13.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.03 28.48 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 t -94.74 169.98 9.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.13 134.3 68.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 153.04 41.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.44 1.758 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.4 p -79.78 158.06 26.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.5 ptt-85 -56.04 155.54 6.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.75 120.13 13.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.503 HD13 HG12 ' A' ' 29' ' ' ILE . 1.9 pp -112.98 173.45 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -127.47 108.38 10.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.432 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 60.8 p -65.37 163.47 15.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 36.1 mt -73.56 175.16 7.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -75.0 148.26 35.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.536 1.809 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.464 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.4 Cg_endo -74.95 171.39 18.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.733 ' O ' HG21 ' A' ' 102' ' ' VAL . 42.3 mt-10 -127.18 176.65 7.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.587 HD21 ' CA ' ' A' ' 103' ' ' GLY . 9.6 mt -76.55 153.07 83.59 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.447 ' CG ' ' HB2' ' A' ' 98' ' ' GLN . 18.3 Cg_endo -74.99 -171.91 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.495 1.787 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 42' ' ' TYR . . . -123.29 163.62 16.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 128.15 11.28 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.473 1.775 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 146.71 32.97 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.2 p -114.13 -175.61 2.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 m120 60.89 35.76 19.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.18 132.65 44.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -172.4 139.69 5.38 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.496 ' CD1' ' CB ' ' A' ' 111' ' ' SER . 4.9 mp -108.59 129.94 62.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.488 0.758 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.9 p -129.57 171.42 12.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.041 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 48.44 42.59 18.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.464 HG13 HG22 ' A' ' 26' ' ' ILE . 6.9 mt -56.38 112.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.13 -166.68 42.3 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -50.91 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -129.55 14.98 6.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.83 138.39 19.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.046 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.712 HG13 HD12 ' A' ' 86' ' ' LEU . 2.7 m -139.01 171.69 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 m -111.53 111.08 21.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.393 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 94' ' ' PHE . 3.1 tt -96.04 113.58 25.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -97.61 156.34 16.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.456 ' CG ' ' SD ' ' A' ' 96' ' ' MET . 5.4 p90 -173.41 -176.16 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.457 ' HG2' ' CD ' ' A' ' 79' ' ' ARG . 8.1 mtp180 -147.0 129.65 7.83 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 103.16 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.457 1.767 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.54 -70.41 1.05 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' GLY . 28.3 t80 -134.09 112.39 11.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.93 -44.7 79.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.17 20.55 5.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt 66.86 26.26 9.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 109.275 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.651 ' O ' HG23 ' A' ' 46' ' ' THR . 0.6 OUTLIER -151.13 24.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.397 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.53 ' O ' HD13 ' A' ' 48' ' ' ILE . 0.8 OUTLIER 42.91 -166.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.987 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.57 HG13 ' CH2' ' A' ' 51' ' ' TRP . 14.9 mm -112.84 148.0 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.9 p -101.24 -23.31 14.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.969 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.422 ' NH1' ' HG3' ' A' ' 71' ' ' GLN . 4.3 ttm-85 -171.17 144.54 2.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CH2' HG13 ' A' ' 48' ' ' ILE . 24.1 m95 -106.83 119.49 39.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 107.972 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.956 ' HG ' HD13 ' A' ' 68' ' ' LEU . 5.2 tp -98.28 143.59 28.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.449 ' O ' HD12 ' A' ' 68' ' ' LEU . 20.4 t -133.69 109.75 13.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.22 166.19 10.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.567 ' HB3' HG21 ' A' ' 69' ' ' ILE . . . -159.92 163.62 34.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CD ' ' NE1' ' A' ' 66' ' ' TRP . 2.7 mt-30 -118.57 147.99 43.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.507 HG13 ' OH ' ' A' ' 92' ' ' TYR . 37.9 t -86.84 133.03 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.928 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.35 -98.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.099 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 57' ' ' VAL . 8.7 p -44.55 118.85 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 0.724 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.928 HG23 ' O ' ' A' ' 58' ' ' GLY . 68.4 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.481 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 7.5 m95 -117.58 115.23 24.7 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -104.08 156.01 18.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.956 HD13 ' HG ' ' A' ' 52' ' ' LEU . 3.0 tp -74.07 157.42 36.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.567 HG21 ' HB3' ' A' ' 55' ' ' ALA . 5.5 pt -137.54 -45.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.917 ' HB2' HG13 ' A' ' 83' ' ' VAL . 54.2 t60 -132.3 133.49 44.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.595 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.497 ' CD ' HD21 ' A' ' 68' ' ' LEU . 5.5 pt20 -136.22 126.49 26.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.428 HD11 ' OE2' ' A' ' 75' ' ' GLU . 22.5 tp -107.87 131.92 53.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.475 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.6 OUTLIER -55.56 -166.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.965 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.475 ' C ' ' O ' ' A' ' 73' ' ' SER . 1.2 m120 -35.14 -83.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.428 ' OE2' HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER 36.58 67.98 1.58 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.274 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.13 9.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.517 1.799 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -116.12 48.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.69 120.2 19.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.457 ' CD ' ' HG2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -97.88 -27.68 14.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -143.19 162.85 34.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.981 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.3 ptp -164.23 159.14 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.415 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 13.4 tt0 -83.29 138.64 33.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.917 HG13 ' HB2' ' A' ' 70' ' ' HIS . 15.8 t -114.24 94.4 35.01 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -164.79 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.801 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 42.59 72.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.712 HD12 HG13 ' A' ' 34' ' ' VAL . 45.8 mt -126.36 152.82 45.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.45 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 9.9 m120 -88.35 113.4 55.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.501 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -75.0 147.93 34.6 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.461 1.769 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.0 t80 56.01 38.42 29.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.8 m -143.27 138.48 29.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.39 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.6 m -74.5 122.69 23.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 108.324 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.507 ' OH ' HG13 ' A' ' 57' ' ' VAL . 3.4 m-85 -143.65 159.95 41.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.555 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -119.62 177.78 4.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 93' ' ' SER . 53.2 m-85 -157.28 138.73 13.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.481 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 4.9 ptp180 -127.73 -168.23 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.456 ' SD ' ' CG ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -135.4 163.48 29.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -167.98 138.01 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.484 ' HB3' HD12 ' A' ' 48' ' ' ILE . 26.3 mt-30 -114.04 134.95 54.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 1.019 HG22 ' OG1' ' A' ' 104' ' ' THR . 33.3 t -120.6 128.96 76.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.145 . . . . 0.0 109.239 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.464 ' HB2' ' CG2' ' A' ' 46' ' ' THR . 32.9 p-10 -135.26 -179.7 5.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.224 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.424 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -57.79 -16.26 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.733 HG21 ' O ' ' A' ' 16' ' ' GLU . 40.6 t -81.85 -74.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.587 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -167.82 -148.67 5.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . 1.019 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -126.05 123.32 38.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 110.407 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.94 170.36 2.66 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 173.49 14.4 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.37 22.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 109' ' ' GLN . 1.7 t -93.99 156.19 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.933 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -38.6 132.81 1.04 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 156.61 43.36 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.496 ' CB ' ' CD1' ' A' ' 26' ' ' ILE . 42.5 p -75.44 166.09 24.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 114' ' ' ILE . 8.1 mtt180 -67.7 160.31 28.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.32 111.28 2.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.466 HG23 ' O ' ' A' ' 112' ' ' ARG . 1.8 pp -107.68 179.24 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -141.07 109.76 6.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 30.1 p -65.2 152.91 42.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 20.6 mt -72.52 177.27 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.443 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 22.9 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.443 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.04 147.76 34.22 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.802 . . . . 0.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.504 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -74.97 165.01 32.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.791 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.904 ' O ' HG21 ' A' ' 102' ' ' VAL . 26.9 mt-10 -118.58 175.62 5.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.554 HD21 ' CA ' ' A' ' 103' ' ' GLY . 10.9 mt -76.71 153.56 83.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -171.53 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -123.89 163.08 17.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 111.065 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.95 5.86 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.545 1.813 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 146.97 33.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.801 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.5 p -117.35 -166.12 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 110.377 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 m120 62.95 30.68 16.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.49 HD11 ' HG3' ' A' ' 96' ' ' MET . 0.1 OUTLIER -73.92 136.71 43.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -160.36 142.31 8.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.543 HG22 HD11 ' A' ' 29' ' ' ILE . 10.2 mm -103.59 109.14 26.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.4 p -127.05 168.67 14.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 50.2 50.26 18.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.616 HD13 HD13 ' A' ' 114' ' ' ILE . 64.1 mt -73.4 110.06 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.04 -154.23 30.97 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -69.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -117.45 18.97 14.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.433 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 1.4 m -148.26 146.41 28.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.755 HG13 HD12 ' A' ' 86' ' ' LEU . 1.5 m -151.16 156.76 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.1 m -97.15 127.79 43.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.578 HD11 ' HB3' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -108.12 121.07 44.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -105.41 144.59 31.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.595 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 4.2 p90 -165.53 -172.52 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -148.26 130.33 7.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 112.21 3.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.811 . . . . 0.0 111.046 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.67 -81.95 0.25 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -119.34 108.51 14.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -52.88 63.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.03 36.69 1.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt 56.28 32.39 20.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 46' ' ' THR . 15.2 t -173.18 113.35 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.7 p -41.17 158.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.545 HG13 ' CH2' ' A' ' 51' ' ' TRP . 10.4 mm -81.9 146.65 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.8 m -92.26 -33.31 14.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.963 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.562 ' NH1' HD13 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -170.45 138.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.545 ' CH2' HG13 ' A' ' 48' ' ' ILE . 12.8 m95 -93.04 136.92 32.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 107.979 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.832 ' HG ' HD13 ' A' ' 68' ' ' LEU . 2.7 tp -103.06 148.0 26.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.6 t -137.78 106.41 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -101.46 163.82 12.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.575 ' HB3' HG21 ' A' ' 69' ' ' ILE . . . -158.76 164.88 35.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.574 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -126.25 130.55 51.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 59' ' ' VAL . 48.6 t -67.95 132.79 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.741 ' O ' HG12 ' A' ' 60' ' ' VAL . . . 36.55 -96.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 59' ' ' VAL . 7.3 p -44.98 105.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.979 HG21 ' HB2' ' A' ' 93' ' ' SER . 2.8 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.574 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 6.9 m95 -123.03 136.2 54.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 107.984 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 66' ' ' TRP . 17.3 mt -120.17 160.62 22.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.832 HD13 ' HG ' ' A' ' 52' ' ' LEU . 1.6 tp -75.22 151.35 38.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.63 HD11 HG11 ' A' ' 83' ' ' VAL . 5.4 pt -134.11 -44.32 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.53 ' HB2' HG13 ' A' ' 83' ' ' VAL . 16.7 t60 -139.25 148.35 42.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.578 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.78 ' NE2' HD21 ' A' ' 68' ' ' LEU . 5.2 pt20 -147.33 134.66 20.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.461 HD11 ' CD ' ' A' ' 75' ' ' GLU . 51.6 tp -105.01 105.2 15.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.0 m -95.1 152.32 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.025 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.3 t30 45.04 75.56 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.461 ' CD ' HD11 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 177.0 64.96 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -10.5 21.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -102.34 39.84 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.435 ' CB ' HD21 ' A' ' 72' ' ' LEU . . . -117.75 115.12 24.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.505 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 1.7 tpt180 -87.0 -31.05 20.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.4 p -143.07 161.97 36.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.4 ptp -159.95 159.7 32.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -89.67 141.99 28.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.36 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.63 HG11 HD11 ' A' ' 69' ' ' ILE . 11.3 t -115.54 93.8 37.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -162.85 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.0 t70 45.09 63.46 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.755 HD12 HG13 ' A' ' 34' ' ' VAL . 21.1 mt -119.18 146.07 45.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.424 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 3.5 m-80 -85.99 121.31 72.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.434 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.2 Cg_endo -75.03 157.52 42.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.1 t80 47.75 41.61 14.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.2 m -147.58 134.74 20.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.406 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 55.9 m -74.38 119.83 19.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 87' ' ' ASN . 2.5 m-85 -133.81 158.39 43.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.979 ' HB2' HG21 ' A' ' 60' ' ' VAL . 6.5 t -119.22 172.46 7.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.952 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.578 ' HB3' HD11 ' A' ' 36' ' ' LEU . 56.8 m-85 -157.02 139.99 15.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.37 -167.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.595 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -136.67 162.24 33.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 96' ' ' MET . 12.1 mtt180 -168.15 147.53 4.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.246 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.412 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 72.7 mt-30 -113.85 142.86 45.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.953 HG22 ' OG1' ' A' ' 104' ' ' THR . 43.7 t -129.33 118.96 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.7 p30 -129.55 179.75 5.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.419 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.4 OUTLIER -59.39 -14.98 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.904 HG21 ' O ' ' A' ' 16' ' ' GLU . 21.3 t -80.92 -66.14 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.554 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -177.82 -156.27 16.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.953 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -120.72 112.9 19.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 110.43 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.42 171.87 0.2 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.986 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.34 12.95 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.528 1.804 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.87 17.06 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 t -93.89 154.69 17.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.047 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.61 126.65 1.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.534 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 18.2 Cg_endo -75.03 155.68 42.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.9 p -75.11 143.78 43.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -47.86 175.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -78.08 134.74 37.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.373 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.616 HD13 HD13 ' A' ' 29' ' ' ILE . 1.8 pp -131.49 179.69 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -131.55 123.91 28.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.434 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 41.4 p -83.73 149.94 26.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 48.6 mt -69.44 171.96 7.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.1 Cg_endo -75.0 147.88 34.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.81 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.489 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.03 164.72 32.73 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.477 1.777 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.916 ' O ' HG21 ' A' ' 102' ' ' VAL . 84.8 mt-10 -116.3 175.0 5.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.539 HD21 ' HA3' ' A' ' 103' ' ' GLY . 11.5 mt -76.94 153.63 82.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.2 Cg_endo -75.03 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.14 167.72 24.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 119.54 5.68 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.27 26.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.0 p -117.42 -167.57 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.379 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.0 m120 59.91 26.07 15.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.816 HD11 ' HB2' ' A' ' 96' ' ' MET . 0.1 OUTLIER -65.89 144.19 56.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -176.89 133.7 2.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.496 ' CD1' ' CB ' ' A' ' 111' ' ' SER . 4.9 mp -103.2 132.15 50.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.7 m -125.61 170.3 11.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 42.56 54.26 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.728 HD13 HD13 ' A' ' 114' ' ' ILE . 44.3 mt -64.42 108.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 33' ' ' SER . . . -83.0 -172.54 48.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -52.16 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -120.36 10.32 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.18 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.46 ' O ' ' CA ' ' A' ' 30' ' ' GLY . 4.8 m -150.91 151.3 31.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.712 HG13 HD12 ' A' ' 86' ' ' LEU . 2.9 m -148.5 164.27 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.6 m -103.69 107.19 17.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.4 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' HG ' ' CG1' ' A' ' 26' ' ' ILE . 0.6 OUTLIER -91.3 120.91 32.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -106.57 149.71 26.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.661 ' CD2' ' HE2' ' A' ' 96' ' ' MET . 8.4 p90 -163.1 -173.51 3.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -152.83 133.99 8.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 103.69 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.78 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.83 -61.09 5.19 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.509 1.13 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 1.6 t80 -140.45 92.23 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.552 ' HA ' HD11 ' A' ' 48' ' ' ILE . 7.2 m-20 -51.63 -64.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.92 42.6 0.18 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt 47.22 27.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 0.728 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 47' ' ' SER . 6.8 t -155.19 23.43 0.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.463 ' O ' HD13 ' A' ' 48' ' ' ILE . 7.4 t 43.59 -166.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.552 HD11 ' HA ' ' A' ' 43' ' ' ASP . 29.0 mm -114.54 147.31 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.84 -38.82 8.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.467 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -152.32 143.89 23.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.476 ' CH2' HG13 ' A' ' 48' ' ' ILE . 21.4 m95 -103.32 140.41 37.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 107.989 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.982 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -110.49 133.89 52.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.7 t -128.54 104.67 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.461 ' HB2' ' CG ' ' A' ' 95' ' ' ARG . 5.2 mt-10 -98.58 166.07 11.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.622 ' HB3' HG21 ' A' ' 69' ' ' ILE . . . -156.9 154.29 29.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.412 ' OE1' ' O ' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -118.19 143.8 46.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.832 HG13 ' OH ' ' A' ' 92' ' ' TYR . 28.9 t -86.72 130.96 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.536 ' O ' HG12 ' A' ' 60' ' ' VAL . . . 35.19 -98.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.412 ' O ' ' OE1' ' A' ' 56' ' ' GLN . 3.6 p -45.34 96.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.784 HG21 ' HB2' ' A' ' 93' ' ' SER . 5.5 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.626 ' HG3' HD23 ' A' ' 67' ' ' LEU . 9.5 pt-20 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.611 ' CG ' ' CZ ' ' A' ' 95' ' ' ARG . 6.6 m95 -127.48 99.69 5.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.062 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.626 HD23 ' HG3' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -87.17 154.72 20.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.982 HD13 ' HG ' ' A' ' 52' ' ' LEU . 9.7 tp -76.54 154.5 34.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.622 HG21 ' HB3' ' A' ' 55' ' ' ALA . 0.9 OUTLIER -135.44 -48.69 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.619 ' CB ' HG13 ' A' ' 83' ' ' VAL . 67.7 t60 -126.47 138.29 53.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.553 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.595 ' OE1' HD21 ' A' ' 68' ' ' LEU . 18.3 pt20 -145.61 123.41 11.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 48.4 tp -104.29 117.74 34.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -99.81 156.63 17.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 49.4 t-20 43.55 91.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.436 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER 165.19 69.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -25.02 12.17 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.434 1.755 . . . . 0.0 110.983 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.92 -33.9 59.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.405 ' HB2' ' CD ' ' A' ' 75' ' ' GLU . . . -44.91 125.43 5.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -106.8 -24.87 11.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.4 p -143.33 159.85 41.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -160.96 160.02 30.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -90.87 144.86 25.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.619 HG13 ' CB ' ' A' ' 70' ' ' HIS . 4.3 t -118.86 94.03 47.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -167.52 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.789 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 47.78 69.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.712 HD12 HG13 ' A' ' 34' ' ' VAL . 38.3 mt -127.17 145.44 50.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -86.98 113.64 54.48 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.455 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -74.98 147.35 33.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.9 t80 62.47 39.54 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 52.5 m -147.78 139.37 23.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 60.6 m -75.14 116.91 16.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 108.297 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.832 ' OH ' HG13 ' A' ' 57' ' ' VAL . 3.0 m-85 -136.23 153.99 51.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.784 ' HB2' HG21 ' A' ' 60' ' ' VAL . 1.3 t -119.55 165.19 14.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.412 ' HA ' ' O ' ' A' ' 54' ' ' GLU . 63.5 m-85 -142.72 152.02 41.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.611 ' CZ ' ' CG ' ' A' ' 66' ' ' TRP . 7.9 ptp180 -144.63 143.26 30.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.816 ' HB2' HD11 ' A' ' 24' ' ' LEU . 18.9 mmm -99.05 159.23 15.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -151.35 172.25 16.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.451 ' HB3' HD12 ' A' ' 48' ' ' ILE . 30.0 mt-30 -137.68 133.74 34.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.862 HG22 ' OG1' ' A' ' 104' ' ' THR . 93.0 t -125.85 130.23 72.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.0 p30 -135.54 -179.16 5.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -13.23 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.916 HG21 ' O ' ' A' ' 16' ' ' GLU . 15.5 t -80.82 -72.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.539 ' HA3' HD21 ' A' ' 17' ' ' LEU . . . -161.91 -151.13 6.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.862 ' OG1' HG22 ' A' ' 99' ' ' VAL . 1.1 m -128.76 100.98 5.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 0.738 . . . . 0.0 110.413 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.403 ' OG ' ' HG2' ' A' ' 18' ' ' PRO . 1.4 p -42.44 163.4 0.14 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.985 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.16 13.26 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.555 1.818 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.83 27.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.8 p -94.4 172.59 8.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.64 141.18 84.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 153.17 41.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.496 ' CB ' ' CD1' ' A' ' 26' ' ' ILE . 97.0 p -75.38 165.71 24.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.033 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -59.3 149.73 28.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.93 114.46 4.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.728 HD13 HD13 ' A' ' 29' ' ' ILE . 2.0 pp -117.22 163.65 14.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -119.83 108.7 14.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 9.1 p -57.46 145.7 32.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 53.8 mt -57.99 173.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -166.62 90.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 0.79 . . . . 0.0 109.968 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.6 162.07 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.972 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.59 137.23 2.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.541 1.15 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.33 169.64 8.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.1 p -54.49 155.19 4.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.946 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.55 175.99 14.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 111.03 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -138.36 153.89 48.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 110.376 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mt -133.47 97.77 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.0 t -166.23 88.65 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.58 -59.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.65 129.69 2.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 p -139.95 127.17 12.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 147.53 33.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.474 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.03 164.98 32.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.812 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.651 ' O ' HG21 ' A' ' 102' ' ' VAL . 57.8 mt-10 -117.18 173.6 6.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.253 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.523 HD21 ' CA ' ' A' ' 103' ' ' GLY . 11.3 mt -78.23 154.63 79.68 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.2 Cg_endo -74.92 -161.97 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.23 171.01 20.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.538 1.149 . . . . 0.0 111.035 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 117.52 4.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 141.81 27.17 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.498 1.789 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.2 p -120.22 -166.34 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.2 t30 66.64 30.29 8.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.46 138.06 42.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.58 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -149.54 154.51 25.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.603 HG22 HD11 ' A' ' 29' ' ' ILE . 6.4 mm -118.54 105.42 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.773 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.3 t -130.56 172.68 11.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 48.04 44.03 18.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.603 HD11 HG22 ' A' ' 26' ' ' ILE . 43.3 mt -70.25 106.49 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.377 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.39 -155.07 31.34 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.421 1.076 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -127.44 22.97 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.6 138.02 17.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.714 HG13 HD12 ' A' ' 86' ' ' LEU . 1.3 m -146.83 156.27 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 m -98.11 119.31 36.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.436 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.592 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -105.92 114.77 29.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -89.98 158.4 17.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.405 ' CZ ' ' O ' ' A' ' 78' ' ' ALA . 52.7 p90 -172.29 179.1 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.82 133.4 10.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.3 2.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.7 -77.92 0.35 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.45 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 3.1 t80 -122.57 106.51 11.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 0.757 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.44 -51.74 68.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.15 48.67 0.81 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt 53.67 32.01 13.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -174.16 137.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.411 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.3 p -63.89 164.79 9.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.49 HG13 ' CH2' ' A' ' 51' ' ' TRP . 5.0 mm -81.75 141.96 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.37 -29.38 15.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.946 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.458 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -170.62 141.91 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.49 ' CH2' HG13 ' A' ' 48' ' ' ILE . 8.2 m95 -100.65 139.06 36.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 107.966 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.921 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -107.8 129.53 55.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.2 t -122.38 105.0 15.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 94' ' ' PHE . 57.4 mt-10 -97.97 172.01 7.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -164.35 158.01 18.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.44 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -115.7 162.08 17.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.671 HG22 ' OH ' ' A' ' 92' ' ' TYR . 59.8 t -98.74 134.28 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.868 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.23 -96.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 57' ' ' VAL . 1.5 p -45.47 118.87 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 58' ' ' GLY . 96.3 t -120.42 81.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -168.01 167.12 39.92 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.77 167.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.15 -50.1 1.92 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -75.75 177.28 7.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.63 157.72 22.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.44 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 7.6 m95 -116.71 120.18 37.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 107.968 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.2 mt -110.2 157.75 19.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.921 HD13 ' HG ' ' A' ' 52' ' ' LEU . 1.2 tp -73.05 150.4 42.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.435 HD13 ' CB ' ' A' ' 55' ' ' ALA . 1.8 pt -136.06 -44.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CB ' HG13 ' A' ' 83' ' ' VAL . 79.5 t60 -131.73 140.0 49.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.592 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.653 ' HB3' HD11 ' A' ' 68' ' ' LEU . 14.6 pt20 -147.44 126.45 12.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.453 HD21 ' HB3' ' A' ' 75' ' ' GLU . 38.9 tp -103.84 109.17 20.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.81 145.77 27.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.0 t30 55.24 74.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.453 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 176.11 65.23 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.32 9.83 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.67 49.49 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.405 ' O ' ' CZ ' ' A' ' 38' ' ' PHE . . . -127.79 95.79 4.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.1 -34.89 77.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.1 t -143.47 169.01 18.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.953 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.8 ptp -162.94 160.32 24.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.961 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.45 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 20.1 tt0 -87.18 143.42 27.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.582 HG12 HD21 ' A' ' 86' ' ' LEU . 11.3 t -114.23 93.68 31.97 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -172.56 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.487 ' O ' HD23 ' A' ' 86' ' ' LEU . 4.0 m-20 48.78 67.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.714 HD12 HG13 ' A' ' 34' ' ' VAL . 39.8 mt -119.5 150.43 40.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -87.49 115.78 63.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.419 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.2 Cg_endo -75.04 155.09 42.73 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.3 t80 48.83 41.48 18.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.7 m -147.59 135.08 20.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 57.3 m -75.14 116.0 15.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.671 ' OH ' HG22 ' A' ' 57' ' ' VAL . 3.1 m-85 -135.81 161.83 34.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.47 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 15.4 t -119.52 173.37 7.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.031 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.464 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 86.5 m-85 -153.88 144.59 22.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.404 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -133.23 -169.04 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.354 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 14.6 mmm -140.57 160.03 40.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.404 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 33.5 mtt180 -157.59 149.46 22.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -114.76 140.64 48.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.921 HG22 ' OG1' ' A' ' 104' ' ' THR . 21.5 t -130.41 128.11 63.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -135.57 179.55 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.438 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -55.93 -17.62 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.447 1.092 . . . . 0.0 109.234 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.651 HG21 ' O ' ' A' ' 16' ' ' GLU . 93.1 t -78.56 -71.44 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.523 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -175.73 -165.39 31.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.921 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -105.94 125.35 50.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.388 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.41 ' CB ' ' CD ' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -69.42 172.95 4.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.002 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 105' ' ' SER . 18.4 Cg_endo -74.99 173.83 13.83 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.402 ' HB2' ' NH1' ' A' ' 95' ' ' ARG . 18.4 Cg_endo -75.01 139.47 24.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 t -94.27 157.09 16.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.13 132.99 1.93 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 155.83 43.15 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.413 ' HB2' ' CG1' ' A' ' 26' ' ' ILE . 14.2 p -79.08 164.87 23.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.98 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -61.85 163.31 7.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -74.21 134.75 42.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 pp -133.96 178.39 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -129.89 118.15 21.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.419 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 23.5 p -73.73 143.44 46.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.426 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 60.2 mt -60.67 171.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -87.09 145.87 26.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 t -95.47 97.29 9.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 149.37 -172.54 29.39 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 132.81 15.77 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.72 80.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 77.4 p -138.89 153.95 48.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.42 157.41 17.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.97 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.03 87.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.67 151.54 23.62 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.2 p -136.19 127.43 28.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -73.45 133.63 43.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.35 159.78 53.56 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.9 p -97.99 97.11 8.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 pt 43.45 -164.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.76 151.29 34.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.052 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.93 -56.06 1.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 110.028 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.15 81.47 0.35 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.13 125.14 89.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.774 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -75.03 147.78 34.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.503 ' HB2' HG23 ' A' ' 102' ' ' VAL . 18.4 Cg_endo -74.98 164.22 33.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.472 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 55.0 mt-10 -123.52 175.0 7.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.519 HD21 ' CA ' ' A' ' 103' ' ' GLY . 8.1 mt -79.46 150.94 74.27 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.5 Cg_endo -74.93 -161.49 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.52 169.66 22.24 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.138 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 117.93 5.08 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.547 1.814 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.5 20.5 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.9 p -109.96 -165.77 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.443 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 61.62 31.45 18.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.52 123.84 22.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.57 160.67 23.19 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 1.059 ' CG2' HD11 ' A' ' 29' ' ' ILE . 3.2 mm -132.12 110.83 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.68 169.43 17.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 52.77 52.2 14.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.059 HD11 ' CG2' ' A' ' 26' ' ' ILE . 11.7 mm -74.71 99.57 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.51 -163.3 34.62 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -53.52 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.555 1.818 . . . . 0.0 111.026 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -128.65 18.18 6.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.35 135.95 16.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.835 ' HB ' HD13 ' A' ' 29' ' ' ILE . 2.1 m -142.63 154.77 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.2 m -93.54 134.58 35.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.678 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -118.61 121.25 39.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -105.4 141.43 36.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.579 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 3.2 p90 -158.47 -170.92 3.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -150.54 131.66 7.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 100.01 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.45 -74.34 0.36 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 4.3 t80 -125.91 100.18 6.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 111.035 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.02 -42.05 62.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.07 31.18 4.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.137 . . . . 0.0 110.976 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt 65.46 32.32 9.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 109.323 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.4 t -174.38 123.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.374 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 p -49.32 155.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.562 HG13 ' CH2' ' A' ' 51' ' ' TRP . 8.0 mm -74.77 139.6 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.11 -32.78 18.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -165.2 137.4 4.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.562 ' CH2' HG13 ' A' ' 48' ' ' ILE . 18.4 m95 -98.48 125.36 43.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 108.024 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.957 ' HG ' HD13 ' A' ' 68' ' ' LEU . 3.6 tp -96.81 144.78 26.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.7 t -134.55 106.11 7.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -101.07 160.14 14.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -157.07 160.16 38.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.521 ' OE1' HG13 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -120.1 138.7 53.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.854 HG22 ' OH ' ' A' ' 92' ' ' TYR . 32.6 t -76.68 134.6 28.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.905 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.98 -96.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.521 HG13 ' OE1' ' A' ' 56' ' ' GLN . 9.9 p -41.81 122.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 58' ' ' GLY . 97.2 t -124.26 85.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -136.55 -150.0 5.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -109.4 -51.9 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -38.3 -40.37 0.89 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.122 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' HB2' ' NE2' ' A' ' 56' ' ' GLN . 19.8 mp0 -77.43 150.6 34.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -86.89 161.48 18.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.592 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 5.8 m95 -114.48 134.69 54.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 108.019 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 66' ' ' TRP . 17.5 mt -118.17 161.07 20.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.957 HD13 ' HG ' ' A' ' 52' ' ' LEU . 2.9 tp -77.65 153.72 32.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.54 HD11 HG11 ' A' ' 83' ' ' VAL . 4.5 pt -135.09 -45.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.416 ' N ' HG13 ' A' ' 69' ' ' ILE . 68.3 t60 -133.8 134.67 43.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.622 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.49 ' HB3' HD11 ' A' ' 68' ' ' LEU . 18.8 pt20 -137.62 122.74 19.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 22.7 tp -103.98 113.17 26.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -100.68 160.84 14.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 73' ' ' SER . 0.8 OUTLIER 38.35 81.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.44 66.01 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.86 8.39 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -115.17 49.38 1.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -128.51 88.03 2.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.471 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 17.4 mmm-85 -61.85 -30.59 70.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.5 p -143.45 167.55 21.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.3 ptp -166.55 160.48 15.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -85.43 141.74 29.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.54 HG11 HD11 ' A' ' 69' ' ' ILE . 13.6 t -114.05 93.66 31.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.413 ' HD2' ' ND1' ' A' ' 70' ' ' HIS . 18.3 Cg_endo -75.03 -173.5 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.554 1.818 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 t0 50.25 67.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.744 HD12 HG13 ' A' ' 34' ' ' VAL . 45.3 mt -122.38 146.82 46.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.563 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 6.3 m120 -86.19 117.9 69.48 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.4 ' HA ' ' CB ' ' A' ' 116' ' ' THR . 18.2 Cg_endo -75.01 154.68 42.61 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 t80 48.34 42.96 18.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 110.98 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 94.8 m -147.35 137.78 23.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 61.5 m -74.67 117.83 16.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.854 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.2 m-85 -136.25 157.42 46.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.539 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 4.1 t -119.28 172.95 7.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.41 ' CG ' ' C ' ' A' ' 93' ' ' SER . 52.5 m-85 -156.62 141.26 16.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.592 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 8.7 ptp180 -126.72 -167.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.579 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -136.73 163.14 31.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -166.39 143.59 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 104' ' ' THR . 48.1 mt-30 -114.3 149.91 35.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.933 HG22 ' OG1' ' A' ' 104' ' ' THR . 18.9 t -135.82 126.47 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 38.2 p30 -132.17 179.78 5.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.459 ' H ' HG22 ' A' ' 101' ' ' ILE . 0.7 OUTLIER -56.3 -17.95 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.503 HG23 ' HB2' ' A' ' 15' ' ' PRO . 93.3 t -80.86 -75.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.519 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -168.03 -152.45 7.59 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.933 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -118.9 125.99 50.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 0.0 110.406 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.35 172.18 0.64 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 169.35 22.77 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.408 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.0 Cg_endo -75.02 136.56 20.51 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.449 ' OG ' ' N ' ' A' ' 109' ' ' GLN . 3.7 t -93.91 178.11 5.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.449 ' N ' ' OG ' ' A' ' 108' ' ' SER . 0.6 OUTLIER -73.82 148.31 87.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 152.64 40.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.803 . . . . 0.0 111.04 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.2 p -81.15 154.39 26.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.046 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -38.63 145.3 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 137.5 58.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.856 HD13 HD12 ' A' ' 29' ' ' ILE . 2.7 pp -127.45 -174.95 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -145.08 108.28 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.4 ' CB ' ' HA ' ' A' ' 88' ' ' PRO . 11.0 p -60.78 152.05 28.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.422 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 58.4 mt -66.72 179.19 1.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -94.82 141.07 29.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.1 t -91.1 114.64 27.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.98 -166.2 33.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 115.45 4.28 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.535 1.808 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.38 154.99 21.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 42.9 p -166.75 107.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.72 102.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.94 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -172.17 169.08 5.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.018 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.07 164.42 28.4 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.21 167.3 30.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.983 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -136.07 136.55 40.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.97 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.97 167.55 29.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.3 p -109.78 57.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.769 . . . . 0.0 110.371 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mt -130.36 -65.99 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.84 83.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 110.006 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.74 136.91 20.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.61 134.01 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 13' ' ' VAL . 2.6 p -72.21 122.32 87.07 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.536 0.786 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -75.0 147.78 34.38 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.46 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -75.08 158.75 41.72 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' O ' HG21 ' A' ' 102' ' ' VAL . 48.2 mt-10 -111.51 -177.51 3.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 17' ' ' LEU . 6.9 mt -85.52 152.35 57.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.3 Cg_endo -75.01 -165.39 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.45 169.41 23.77 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.16 5.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 155.15 42.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.7 p -124.67 -166.93 1.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 60.8 30.52 19.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.441 HD11 ' HB2' ' A' ' 96' ' ' MET . 0.2 OUTLIER -69.76 130.01 41.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.27 146.47 12.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 mp -115.89 129.91 71.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.0 p -129.86 164.41 24.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 50.62 51.67 16.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.38 107.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.01 -171.35 47.75 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -48.1 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.431 1.753 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -128.61 13.82 6.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.402 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -152.82 147.41 26.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.652 HG13 HD12 ' A' ' 86' ' ' LEU . 1.1 m -148.83 162.68 5.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.245 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.6 m -100.21 110.28 22.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.442 ' CD1' ' HB3' ' A' ' 94' ' ' PHE . 2.9 tt -94.98 111.33 23.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -94.03 156.4 16.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.09 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.586 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 23.0 p90 -169.74 -171.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -157.99 134.64 6.51 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 112.44 3.56 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.45 -70.76 1.22 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.453 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 2.0 t80 -125.39 89.44 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 111.04 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -48.62 -53.44 18.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.25 44.03 0.88 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt 56.68 34.71 25.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -173.86 139.55 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.396 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -68.17 162.61 24.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.569 HG13 ' CH2' ' A' ' 51' ' ' TRP . 6.3 mm -81.58 137.12 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 m -87.64 -29.5 21.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.465 ' NH1' HD13 ' A' ' 52' ' ' LEU . 1.2 tmm_? -165.85 136.71 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CH2' HG13 ' A' ' 48' ' ' ILE . 24.9 m95 -97.76 132.19 43.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.906 ' HG ' HD13 ' A' ' 68' ' ' LEU . 2.9 tp -102.28 144.14 31.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.6 t -135.06 105.93 6.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -102.37 162.43 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -159.85 165.1 32.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -125.14 143.24 51.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.678 HG22 ' OH ' ' A' ' 92' ' ' TYR . 42.9 t -79.07 130.25 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.576 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.57 -97.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.552 HG12 ' O ' ' A' ' 61' ' ' GLY . 99.5 t -42.95 97.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 0.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 58' ' ' GLY . 50.6 t -81.57 79.51 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.552 ' O ' HG12 ' A' ' 59' ' ' VAL . . . 111.54 -155.24 16.28 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.14 . . . . 0.0 110.978 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 64.98 96.51 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 0.735 . . . . 0.0 110.319 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 39.19 32.38 0.21 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.448 1.093 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -116.08 143.14 45.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.785 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -96.45 167.02 11.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.588 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 11.6 m95 -112.6 119.93 39.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 mt -109.18 157.51 18.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.906 HD13 ' HG ' ' A' ' 52' ' ' LEU . 2.4 tp -75.15 146.78 41.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.596 HD11 HG11 ' A' ' 83' ' ' VAL . 4.3 pt -126.93 -43.47 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.816 ' HB2' HG13 ' A' ' 83' ' ' VAL . 12.3 t60 -139.06 137.77 36.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.58 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.652 ' HB3' HD11 ' A' ' 68' ' ' LEU . 21.1 pt20 -140.43 128.01 21.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 48.2 tp -103.8 130.49 51.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.0 m -121.19 140.59 51.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.435 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 35.1 t30 64.79 78.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.1 OUTLIER 165.3 69.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.72 20.05 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -81.9 -29.46 32.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.53 115.31 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.413 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 1.5 mpp_? -91.78 -27.44 18.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.443 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 3.5 m -143.25 162.17 36.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.964 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -162.7 157.61 21.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -85.09 140.02 31.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.816 HG13 ' HB2' ' A' ' 70' ' ' HIS . 21.4 t -113.89 94.4 33.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.523 ' HD2' ' CE1' ' A' ' 70' ' ' HIS . 18.2 Cg_endo -75.01 -169.05 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.446 1.761 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 51.04 69.37 0.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.652 HD12 HG13 ' A' ' 34' ' ' VAL . 63.9 mt -127.54 149.49 50.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -87.04 117.77 69.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.442 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.1 Cg_endo -75.01 150.84 38.71 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.8 t80 55.41 41.61 30.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 87.6 m -147.57 138.07 23.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 55.2 m -75.28 125.68 29.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.289 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.678 ' OH ' HG22 ' A' ' 57' ' ' VAL . 2.6 m-85 -143.38 158.81 43.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.582 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 1.7 t -119.5 174.05 6.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.456 ' CD1' ' O ' ' A' ' 93' ' ' SER . 49.8 m-85 -157.1 141.26 16.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.588 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 5.4 ptp180 -126.52 -167.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.586 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -138.5 163.07 32.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -165.89 148.67 7.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 104' ' ' THR . 32.9 mt-30 -118.58 143.25 46.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.509 HG22 ' OG1' ' A' ' 104' ' ' THR . 5.2 t -127.44 124.84 64.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 103' ' ' GLY . 45.1 p-10 -133.09 161.85 33.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.408 ' O ' HG13 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -40.53 -33.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 15' ' ' PRO . 29.2 t -65.58 -74.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.403 ' O ' ' OD1' ' A' ' 100' ' ' ASN . . . -163.49 -143.1 3.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.509 ' OG1' HG22 ' A' ' 99' ' ' VAL . 1.0 OUTLIER -131.78 132.57 43.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 110.392 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.81 169.1 2.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 168.21 25.32 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 133.42 16.55 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.0 t -94.41 165.83 12.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.949 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -59.78 157.11 30.57 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 158.62 41.8 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.5 1.79 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.2 p -82.67 167.12 18.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.023 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 114' ' ' ILE . 10.3 mmt180 -52.17 143.52 14.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 124.1 19.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.45 HG23 ' O ' ' A' ' 112' ' ' ARG . 2.4 pp -122.78 176.23 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -140.39 109.0 5.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.32 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.442 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 73.9 p -58.21 158.55 6.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.464 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 63.8 mt -76.54 -172.81 2.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -97.9 138.9 34.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.5 t -106.57 -58.99 1.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 61.33 -170.26 9.42 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 108.9 2.82 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 91.7 p -116.84 121.26 40.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.999 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.43 116.71 32.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.044 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -160.98 143.06 12.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 0.755 . . . . 0.0 110.047 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.66 157.04 22.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.93 149.55 9.79 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -59.37 124.2 19.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 0.783 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 m -149.41 86.8 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.961 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.24 -164.75 21.29 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 t -156.88 163.69 38.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 110.418 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 tp -129.13 137.56 56.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -170.4 -58.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -149.07 128.73 13.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.32 142.77 9.24 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.449 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 40.4 t -84.22 140.15 39.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.449 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.04 147.58 33.98 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.507 1.793 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.492 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.0 168.71 24.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.572 ' C ' HG21 ' A' ' 102' ' ' VAL . 44.0 mt-10 -130.5 173.86 10.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.538 HD21 ' CA ' ' A' ' 103' ' ' GLY . 9.0 mt -76.79 151.78 82.51 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -161.16 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.52 165.81 23.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 118.61 5.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.75 35.71 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.546 1.814 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.1 p -120.55 -166.05 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 m120 61.9 30.55 18.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.03 129.07 37.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.03 152.47 23.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.567 HD13 ' HG ' ' A' ' 36' ' ' LEU . 5.1 mm -104.04 132.42 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.1 m -138.21 164.58 28.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.964 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 41.08 59.1 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.456 HG12 HD13 ' A' ' 114' ' ' ILE . 6.0 mt -70.12 100.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.37 -166.93 37.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.449 1.763 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -123.6 3.7 8.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.94 144.47 35.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.705 HG13 HD12 ' A' ' 86' ' ' LEU . 1.5 m -144.5 175.55 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.4 m -113.98 123.56 50.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.384 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.567 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -107.25 121.21 44.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.363 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -104.51 148.58 26.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.475 ' CG ' ' SD ' ' A' ' 96' ' ' MET . 4.2 p90 -167.07 -171.51 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -151.03 129.42 6.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 103.7 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.788 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.79 -78.05 0.16 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.5 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 22.1 t80 -123.34 107.98 12.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.48 -46.16 89.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.5 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 108.92 26.84 5.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.441 1.088 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt 65.34 34.6 8.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 46' ' ' THR . 11.6 t -169.81 115.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.4 m -46.05 149.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.567 HG13 ' CH2' ' A' ' 51' ' ' TRP . 6.3 mm -71.65 137.87 22.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.65 -33.16 25.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.525 ' NE ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -167.82 139.88 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.567 ' CH2' HG13 ' A' ' 48' ' ' ILE . 29.0 m95 -97.44 129.08 44.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 107.991 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.897 ' HG ' HD13 ' A' ' 68' ' ' LEU . 2.5 tp -98.69 145.03 27.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 70' ' ' HIS . 12.6 t -137.49 105.58 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.407 ' OE1' ' NH2' ' A' ' 97' ' ' ARG . 56.9 mt-10 -98.26 171.07 8.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.536 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -166.5 164.04 17.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.6 ' O ' ' CD2' ' A' ' 92' ' ' TYR . 4.7 mt-30 -122.82 161.61 23.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.805 HG22 ' OH ' ' A' ' 92' ' ' TYR . 45.6 t -98.68 129.67 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.839 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 37.15 -98.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 57' ' ' VAL . 79.2 t -42.98 107.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 58' ' ' GLY . 93.1 t -102.31 78.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 168.75 -146.66 10.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.47 153.49 27.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.28 -32.49 7.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -115.22 157.59 23.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 2.2 pt-20 -104.39 -178.32 3.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.408 ' O ' HD23 ' A' ' 67' ' ' LEU . 24.1 m95 -123.56 107.45 11.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.019 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 66' ' ' TRP . 11.8 mt -112.0 161.54 16.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.244 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.897 HD13 ' HG ' ' A' ' 52' ' ' LEU . 1.8 tp -74.05 151.6 40.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.505 HD13 ' CB ' ' A' ' 55' ' ' ALA . 3.7 pt -134.7 -44.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CE1' ' HD2' ' A' ' 84' ' ' PRO . 12.0 t60 -136.24 141.8 43.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.643 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.537 ' HB3' HD11 ' A' ' 68' ' ' LEU . 14.6 pt20 -144.47 134.93 24.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.285 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 75' ' ' GLU . 33.1 tp -106.57 112.85 26.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.96 149.67 22.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 110.034 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 45.78 84.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.461 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 170.31 66.35 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -1.11 10.79 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -115.39 52.04 0.9 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.53 94.13 3.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.15 -29.86 68.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.9 p -143.38 161.46 38.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.7 ptp -160.92 157.15 26.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -84.85 138.09 32.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.51 HG13 ' CB ' ' A' ' 70' ' ' HIS . 11.9 t -114.24 93.49 31.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.572 ' HD2' ' CE1' ' A' ' 70' ' ' HIS . 18.3 Cg_endo -74.99 -162.8 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 40.6 73.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.705 HD12 HG13 ' A' ' 34' ' ' VAL . 59.6 mt -126.57 155.33 42.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -87.17 119.43 70.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 159.36 41.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CD1' ' HG2' ' A' ' 118' ' ' GLN . 0.2 OUTLIER 38.91 44.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.3 m -146.1 134.01 21.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.43 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 59.6 m -74.59 115.83 14.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 108.297 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.805 ' OH ' HG22 ' A' ' 57' ' ' VAL . 2.2 m-85 -134.77 156.5 48.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.536 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 2.2 t -119.39 166.93 12.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.444 ' CB ' HD11 ' A' ' 36' ' ' LEU . 48.8 m-85 -150.6 147.64 27.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -130.53 -170.46 2.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.475 ' SD ' ' CG ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -132.33 163.03 29.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.407 ' NH2' ' OE1' ' A' ' 54' ' ' GLU . 7.5 mtt180 -168.57 144.77 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.437 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 61.6 mt-30 -114.37 149.56 35.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.923 HG22 ' OG1' ' A' ' 104' ' ' THR . 53.6 t -136.39 128.23 44.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 25.9 p-10 -135.41 -179.51 5.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.416 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -58.22 -15.49 5.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.572 HG21 ' C ' ' A' ' 16' ' ' GLU . 93.4 t -79.49 -76.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.538 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -166.19 -161.91 16.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.923 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -114.36 111.75 21.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.375 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.74 169.07 0.43 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.947 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.07 13.4 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.487 1.783 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 137.37 21.56 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.8 t -94.18 163.32 13.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.86 129.76 11.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 159.01 41.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.3 p -77.11 164.63 25.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -63.64 165.64 7.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.35 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.81 119.93 16.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.456 HD13 HG12 ' A' ' 29' ' ' ILE . 2.3 pp -119.89 166.62 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.6 122.69 40.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 53.1 p -80.9 153.83 27.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.6 mt -67.09 177.85 1.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.404 ' HG2' ' CD1' ' A' ' 89' ' ' PHE . 1.8 mm-40 -75.88 171.83 13.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.4 t -97.48 113.63 25.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.013 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 135.11 169.2 11.83 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 168.94 23.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.801 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.28 -56.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.71 147.99 22.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.967 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t 178.36 147.64 0.17 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 0.751 . . . . 0.0 110.015 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.4 p 179.81 108.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.7 143.97 7.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p -131.89 159.99 37.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 p -117.11 141.3 48.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.0 93.91 0.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -170.01 152.64 4.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 110.444 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pt -126.3 77.61 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.5 77.29 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m 64.27 140.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.93 164.65 21.84 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.5 p -140.67 124.11 10.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.06 147.69 34.05 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.497 1.788 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.456 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.1 Cg_endo -75.02 158.14 42.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.466 1.771 . . . . 0.0 110.956 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.49 ' O ' HG21 ' A' ' 102' ' ' VAL . 47.3 mt-10 -112.85 179.32 4.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.492 HD21 ' CA ' ' A' ' 103' ' ' GLY . 8.1 mt -80.52 152.61 73.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.474 ' CG ' ' HB3' ' A' ' 98' ' ' GLN . 18.3 Cg_endo -75.02 -161.63 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.52 168.29 21.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 120.51 6.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.457 1.767 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 145.11 31.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.532 1.806 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.2 p -121.6 -165.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.389 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 61.75 31.55 18.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.74 133.55 41.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -148.86 156.28 26.76 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.591 HD13 ' HG ' ' A' ' 36' ' ' LEU . 4.7 mm -117.25 106.31 19.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.5 m -122.52 172.88 8.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 46.06 43.68 10.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.546 ' CG1' HG22 ' A' ' 26' ' ' ILE . 20.5 mt -61.99 101.76 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.5 -165.25 41.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -53.63 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.6 mtm180 -128.65 15.87 6.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.07 136.86 20.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.697 HG13 HD12 ' A' ' 86' ' ' LEU . 1.8 m -142.95 157.46 17.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.9 m -100.59 119.94 39.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.591 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -103.41 114.53 28.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -97.56 161.77 13.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.413 ' CE2' ' HE1' ' A' ' 96' ' ' MET . 33.8 p90 -179.73 -171.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -148.04 134.56 9.99 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.65 3.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.466 1.771 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.41 -73.65 0.71 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -128.64 113.25 15.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -64.14 -49.97 70.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.89 32.96 2.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.11 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt 60.79 37.25 18.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.274 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 t -172.12 127.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.8 p -52.89 146.08 11.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.505 HG13 ' CH2' ' A' ' 51' ' ' TRP . 6.6 mm -66.47 150.95 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.5 m -100.29 -38.53 8.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.478 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -169.5 141.0 2.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.549 ' CZ3' ' HG3' ' A' ' 98' ' ' GLN . 7.7 m95 -96.77 144.0 27.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.889 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -111.74 130.29 55.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.11 108.21 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -100.58 172.91 6.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.609 ' CB ' HD13 ' A' ' 69' ' ' ILE . . . -167.94 157.28 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 59' ' ' VAL . 1.2 mt-30 -119.42 147.44 44.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.773 HG13 ' OH ' ' A' ' 92' ' ' TYR . 38.8 t -85.76 130.41 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.663 ' O ' HG12 ' A' ' 60' ' ' VAL . . . 36.4 -98.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 59' ' ' VAL . 5.4 p -46.83 96.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.92 HG21 ' HB2' ' A' ' 93' ' ' SER . 3.2 p -129.61 103.01 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -161.54 -111.54 0.27 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.31 120.17 23.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.96 -12.38 6.13 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -110.88 151.34 27.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 0.733 . . . . 0.0 110.313 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.95 159.47 21.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.594 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 8.7 m95 -109.93 118.02 35.34 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -100.77 153.23 19.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.889 HD13 ' HG ' ' A' ' 52' ' ' LEU . 6.5 tp -75.79 152.24 37.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.609 HD13 ' CB ' ' A' ' 55' ' ' ALA . 1.2 pt -137.93 -46.95 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.604 ' CB ' HG13 ' A' ' 83' ' ' VAL . 78.2 t60 -129.01 149.03 51.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.624 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.557 ' OE1' HD21 ' A' ' 68' ' ' LEU . 13.4 pt20 -154.82 125.28 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.8 tp -103.48 116.37 32.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.19 135.17 47.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 69.27 88.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 169.59 71.02 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.92 8.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.506 1.793 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -125.0 35.95 4.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -107.37 94.02 4.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -30.86 70.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 64.7 p -143.8 171.07 14.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 110.033 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.8 ptp -164.98 155.32 13.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.463 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 20.3 tt0 -83.01 137.81 33.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.604 HG13 ' CB ' ' A' ' 70' ' ' HIS . 6.2 t -113.51 93.86 29.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -169.15 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.65 ' O ' HD23 ' A' ' 86' ' ' LEU . 4.1 t70 45.58 73.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.697 HD12 HG13 ' A' ' 34' ' ' VAL . 68.8 mt -129.22 144.5 51.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -86.39 116.1 64.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.488 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -74.95 153.86 42.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.9 t80 54.28 40.27 31.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.3 m -146.8 135.41 22.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.364 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 58.0 m -74.12 114.57 12.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 108.277 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.773 ' OH ' HG13 ' A' ' 57' ' ' VAL . 2.6 m-85 -133.81 159.81 39.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.92 ' HB2' HG21 ' A' ' 60' ' ' VAL . 3.9 t -119.26 165.38 14.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.959 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -150.82 140.53 21.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.594 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 5.9 ptp180 -128.65 -168.06 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.413 ' HE1' ' CE2' ' A' ' 38' ' ' PHE . 12.1 mmm -141.68 157.61 44.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 53.1 mtt180 -150.58 157.93 43.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.549 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -123.28 134.69 54.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 1.024 HG22 ' OG1' ' A' ' 104' ' ' THR . 40.3 t -127.74 130.65 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.4 p30 -135.78 -179.26 5.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -15.83 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.49 HG21 ' O ' ' A' ' 16' ' ' GLU . 63.3 t -83.3 -78.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.492 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -160.88 -150.44 5.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . 1.024 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -121.51 133.39 55.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.759 . . . . 0.0 110.392 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.401 ' CB ' ' CD ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -72.09 172.99 6.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.04 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 105' ' ' SER . 18.3 Cg_endo -75.02 173.68 14.09 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.812 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.422 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -75.0 137.47 21.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.2 t -94.2 150.76 20.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.032 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -39.47 135.3 1.18 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 157.99 42.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.3 p -82.95 145.64 29.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.002 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -44.01 161.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.01 121.95 16.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.135 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.2 pp -115.63 173.44 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.72 112.89 12.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.417 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 19.4 p -69.7 151.35 45.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.434 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 30.5 mt -64.68 175.06 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -90.32 148.04 23.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.142 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.5 t -97.0 80.18 2.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -141.44 171.1 24.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 85.95 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.782 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.18 107.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.041 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.1 t -66.48 165.25 14.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.44 165.79 27.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 0.76 . . . . 0.0 110.001 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.0 p -150.95 159.88 44.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.6 -158.61 34.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.53 158.45 4.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 p -159.83 150.56 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.36 85.02 1.01 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 p -120.28 115.78 24.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 0.0 110.396 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 tt -49.02 127.34 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 t -123.88 164.1 19.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.16 98.35 7.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.04 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.98 143.39 14.57 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.439 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 21.8 t -83.62 139.9 41.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.749 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.439 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.98 147.53 34.12 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.488 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.6 Cg_endo -74.94 163.02 36.27 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.838 ' O ' HG21 ' A' ' 102' ' ' VAL . 47.4 mt-10 -114.92 174.86 5.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.521 HD23 ' HB ' ' A' ' 102' ' ' VAL . 10.8 mt -76.31 152.62 83.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -170.29 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.43 163.53 20.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 122.67 7.33 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.9 22.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.54 1.81 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 p -108.42 -167.68 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.458 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 m120 61.88 35.56 16.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.38 137.91 40.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.09 144.34 10.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.51 HD13 ' HG ' ' A' ' 36' ' ' LEU . 4.8 mm -105.19 114.8 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.6 p -125.3 172.28 9.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 41.47 57.01 3.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.491 HD13 ' HB ' ' A' ' 114' ' ' ILE . 48.8 mt -71.19 101.79 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.08 -166.1 35.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.445 1.091 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -49.21 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.789 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.21 16.99 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.443 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -152.83 150.01 28.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.704 HG13 HD12 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -151.6 171.19 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.1 m -109.46 124.29 50.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -105.49 126.56 52.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -110.67 159.86 17.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.541 ' CD1' ' O ' ' A' ' 79' ' ' ARG . 35.0 p90 179.68 -172.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 11.9 mtt85 -145.13 134.11 11.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 39' ' ' ARG . 18.4 Cg_endo -75.01 106.11 2.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.77 -87.67 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.573 1.171 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -111.98 104.38 12.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.82 -55.76 23.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 113.03 47.99 0.63 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt 48.09 29.17 1.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 0.732 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.43 ' CG2' ' HB2' ' A' ' 100' ' ' ASN . 0.7 OUTLIER -168.79 128.3 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.8 m -55.67 163.51 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.569 HG13 ' CH2' ' A' ' 51' ' ' TRP . 19.5 mm -84.82 143.52 11.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.09 -37.99 11.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.48 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 3.8 tmm_? -166.36 137.22 3.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CH2' HG13 ' A' ' 48' ' ' ILE . 3.6 m95 -94.01 145.65 24.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 107.981 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.963 ' HG ' HD13 ' A' ' 68' ' ' LEU . 1.2 tp -109.29 129.15 55.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.503 ' O ' HD12 ' A' ' 68' ' ' LEU . 15.8 t -121.44 105.81 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.498 ' OE2' ' CZ ' ' A' ' 97' ' ' ARG . 23.0 mt-10 -99.39 176.83 5.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.522 ' HB3' HG21 ' A' ' 69' ' ' ILE . . . -168.5 156.8 8.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.552 ' O ' ' CD2' ' A' ' 92' ' ' TYR . 2.0 mt-30 -117.97 153.55 33.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.664 HG13 ' OH ' ' A' ' 92' ' ' TYR . 47.2 t -89.09 128.11 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.802 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.95 -95.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' VAL . 53.8 t -42.05 102.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.793 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 58' ' ' GLY . 97.9 t -95.35 81.57 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 141.32 -135.58 6.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 52.23 -174.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 0.775 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.25 56.27 3.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.3 174.25 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -110.39 158.17 18.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -114.34 102.39 10.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 108.021 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.5 mt -94.65 154.91 17.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.242 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.963 HD13 ' HG ' ' A' ' 52' ' ' LEU . 12.1 tp -75.2 155.63 36.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.583 HD11 HG11 ' A' ' 83' ' ' VAL . 2.7 pt -134.75 -47.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.723 ' CB ' HG13 ' A' ' 83' ' ' VAL . 41.5 t60 -130.26 142.69 50.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.607 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.584 ' OE1' HD21 ' A' ' 68' ' ' LEU . 15.6 pt20 -147.7 125.17 11.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 25.1 tp -104.55 118.94 37.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.39 139.32 44.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.3 t30 71.61 71.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.01 68.56 0.21 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 1.09 8.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.53 30.29 6.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -104.7 108.4 19.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.541 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -82.93 -29.05 29.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.8 p -143.24 170.36 15.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.7 ptp -167.42 157.81 11.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 14.2 tt0 -86.08 140.37 30.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.723 HG13 ' CB ' ' A' ' 70' ' ' HIS . 4.8 t -118.27 93.13 44.51 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -164.07 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 44.62 68.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.704 HD12 HG13 ' A' ' 34' ' ' VAL . 21.5 mt -119.87 161.13 21.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.466 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 8.8 m120 -94.88 112.16 57.13 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.405 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.3 Cg_endo -74.96 144.34 30.29 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.5 t80 60.77 36.08 19.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.8 m -146.89 138.58 24.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.421 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 56.6 m -74.68 132.74 41.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 108.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.664 ' OH ' HG13 ' A' ' 57' ' ' VAL . 5.1 m-85 -151.08 161.47 42.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.432 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 27.4 p -119.49 173.63 6.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.596 ' HB3' HD11 ' A' ' 36' ' ' LEU . 69.1 m-85 -156.86 137.67 13.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.5 -170.6 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 11.3 mmm -140.71 160.07 40.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.498 ' CZ ' ' OE2' ' A' ' 54' ' ' GLU . 72.3 mtt180 -154.72 167.67 29.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.443 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 77.7 mt-30 -131.82 133.95 45.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 1.006 HG22 ' OG1' ' A' ' 104' ' ' THR . 60.0 t -123.78 126.97 73.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.43 ' HB2' ' CG2' ' A' ' 46' ' ' THR . 37.2 p30 -135.58 -179.98 5.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.44 -15.87 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.838 HG21 ' O ' ' A' ' 16' ' ' GLU . 22.0 t -80.59 -67.95 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.518 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -170.43 -143.14 3.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . 1.006 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.8 OUTLIER -125.27 143.42 50.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 110.436 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.0 p -76.71 159.13 79.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 174.39 12.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.803 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 129.86 12.69 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 t -93.5 168.76 10.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.15 136.03 39.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.48 39.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.5 p -77.44 146.12 36.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.048 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -44.94 152.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 136.12 56.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.491 ' HB ' HD13 ' A' ' 29' ' ' ILE . 1.8 pp -132.73 -179.36 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.2 121.23 23.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.405 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 41.6 p -75.36 148.67 39.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.6 mt -69.8 173.6 6.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -83.32 145.43 29.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.0 t -89.63 91.66 8.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 162.13 -175.9 38.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 178.92 6.64 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.801 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.63 168.42 27.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.02 135.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -140.95 167.21 22.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 0.748 . . . . 0.0 110.031 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.9 p -63.75 132.14 50.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.009 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.94 144.81 18.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -171.78 167.43 6.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m 64.64 146.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.25 135.09 12.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.5 t -108.06 129.72 55.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 110.401 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -57.22 137.09 19.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.4 t -115.51 121.99 44.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.037 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.43 -55.89 3.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.047 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.04 -167.26 15.9 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.76 128.41 84.01 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.582 0.813 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.01 147.68 34.21 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.488 1.783 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.459 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.0 154.6 42.6 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.444 1.76 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.593 ' O ' HG21 ' A' ' 102' ' ' VAL . 42.8 mt-10 -109.3 -176.24 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 17' ' ' LEU . 8.6 mt -85.93 154.3 58.02 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.4 Cg_endo -74.99 -165.27 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.14 163.92 22.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.548 1.155 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.85 6.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 135.14 18.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.8 p -114.36 -166.3 1.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 60.99 29.19 18.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.47 134.29 48.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.99 145.9 14.5 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.594 HG22 ' CG1' ' A' ' 29' ' ' ILE . 4.8 mm -104.25 115.66 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.754 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.5 m -125.23 172.7 9.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 40.29 51.81 2.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.594 ' CG1' HG22 ' A' ' 26' ' ' ILE . 11.3 mt -68.37 100.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -84.96 -168.9 45.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -50.11 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -125.88 8.94 7.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.5 p -146.54 145.19 30.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.689 HG13 HD12 ' A' ' 86' ' ' LEU . 1.9 m -146.48 160.69 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.2 m -102.17 115.6 30.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -100.88 118.59 37.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -104.09 139.67 38.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.542 ' CE2' ' HE1' ' A' ' 96' ' ' MET . 28.3 p90 -151.4 -175.91 5.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -149.73 133.23 8.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 114.3 3.99 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.62 -73.03 0.81 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.125 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.499 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 13.5 t80 -124.6 97.03 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -46.53 -49.56 18.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.499 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 105.86 40.55 1.98 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt 55.94 30.1 15.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.786 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 44' ' ' GLY . 9.4 t -170.89 133.6 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -59.98 160.29 8.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.513 HG13 ' CH2' ' A' ' 51' ' ' TRP . 7.2 mm -79.39 146.1 8.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.27 -35.83 12.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -164.91 145.67 7.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.583 ' HB2' ' HE1' ' A' ' 81' ' ' MET . 24.4 m95 -102.13 135.51 43.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 107.978 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.883 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -106.83 134.23 50.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.7 t -123.56 114.43 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -110.35 160.75 16.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -154.94 164.48 38.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.488 ' OE1' ' CB ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -126.54 135.16 50.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.9 HG22 ' OH ' ' A' ' 92' ' ' TYR . 28.4 t -71.7 135.61 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.966 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.94 -95.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' VAL . 76.5 t -40.1 127.29 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.966 HG23 ' O ' ' A' ' 58' ' ' GLY . 93.6 t -132.39 79.41 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -179.13 167.32 37.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -39.96 159.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 0.756 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.99 -42.11 2.0 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.15 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.488 ' CB ' ' OE1' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -94.04 153.36 18.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.759 . . . . 0.0 110.273 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.56 156.34 16.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.249 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.559 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 19.8 m95 -103.18 118.33 36.55 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.7 mt -107.38 156.57 18.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.883 HD13 ' HG ' ' A' ' 52' ' ' LEU . 8.5 tp -75.56 152.68 37.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.473 HD13 ' CB ' ' A' ' 55' ' ' ALA . 8.6 pt -135.88 -48.27 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.653 ' HB2' HG13 ' A' ' 83' ' ' VAL . 14.2 t60 -136.26 157.79 45.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.826 ' CD ' HD21 ' A' ' 68' ' ' LEU . 1.4 mt-30 -148.82 160.64 43.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.418 HD23 ' CD1' ' A' ' 51' ' ' TRP . 24.5 tp -134.96 106.39 6.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.56 147.1 25.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 0.3 OUTLIER 52.48 87.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.512 ' CD ' ' HB2' ' A' ' 78' ' ' ALA . 0.0 OUTLIER 165.98 70.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -26.22 11.16 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.77 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -77.04 -37.19 55.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.512 ' HB2' ' CD ' ' A' ' 75' ' ' GLU . . . -41.1 127.23 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.21 -23.67 11.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.8 p -143.14 159.5 42.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.017 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.583 ' HE1' ' HB2' ' A' ' 51' ' ' TRP . 5.8 ptp -156.01 159.14 38.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -93.28 138.18 31.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.653 HG13 ' HB2' ' A' ' 70' ' ' HIS . 4.6 t -113.96 93.84 31.4 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.534 ' HD2' ' CE1' ' A' ' 70' ' ' HIS . 18.3 Cg_endo -75.0 -165.78 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.464 1.77 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 42.61 75.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.689 HD12 HG13 ' A' ' 34' ' ' VAL . 62.3 mt -129.34 148.79 51.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -87.33 113.63 54.83 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.428 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -75.02 157.18 42.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.521 1.801 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.0 t80 53.57 40.08 30.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 90.4 m -147.74 137.76 22.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.441 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 60.7 m -74.84 115.29 14.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 108.308 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.9 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.1 m-85 -135.7 158.41 44.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.539 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 94.5 p -119.63 171.69 8.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.474 ' CB ' HD11 ' A' ' 36' ' ' LEU . 65.2 m-85 -156.62 131.57 9.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.559 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 5.0 ptp180 -120.68 -168.7 1.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.244 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.542 ' HE1' ' CE2' ' A' ' 38' ' ' PHE . 17.3 mmm -141.31 159.58 41.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.18 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -153.58 154.02 33.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 104' ' ' THR . 32.1 mt-30 -117.85 144.08 45.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.951 HG22 ' OG1' ' A' ' 104' ' ' THR . 41.4 t -136.06 129.07 46.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 35.0 p-10 -134.36 179.63 6.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.16 -17.8 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.593 HG21 ' O ' ' A' ' 16' ' ' GLU . 58.7 t -82.19 -79.78 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.447 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -161.45 -150.82 6.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.951 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -118.66 146.07 44.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 110.384 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.42 ' CB ' ' CD ' ' A' ' 106' ' ' PRO . 0.4 OUTLIER -82.37 174.01 6.72 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.986 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 105' ' ' SER . 18.3 Cg_endo -75.02 173.24 14.85 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.799 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.411 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -74.95 136.73 20.9 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 109' ' ' GLN . 2.6 t -94.14 145.09 24.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 108' ' ' SER . 2.2 mp0 -37.66 140.34 0.52 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.57 34.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.791 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 79.7 p -77.54 146.42 36.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 112' ' ' ARG . 23.0 mtm105 -39.33 146.81 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -66.34 117.35 8.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 pp -109.3 173.12 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -127.73 109.91 12.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 19.7 p -61.51 153.95 25.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.447 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 55.4 mt -65.98 172.68 3.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -89.24 145.53 25.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.1 t -110.48 -56.36 2.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.45 -166.76 30.74 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 59.76 5.24 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.43 131.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.58 130.74 53.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.99 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m 59.63 168.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 t -103.91 147.64 27.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.989 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.8 168.38 11.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.53 127.18 31.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -121.13 -56.02 1.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.976 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.26 168.36 25.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.5 p -138.71 140.05 38.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 0.721 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.37 137.71 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 49.83 84.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.44 -57.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.53 147.06 9.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.423 HG13 ' HD2' ' A' ' 14' ' ' PRO . 38.2 t -76.2 139.62 68.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.4 Cg_endo -74.99 147.79 34.46 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.498 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -75.0 162.17 37.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.694 ' O ' HG21 ' A' ' 102' ' ' VAL . 47.7 mt-10 -116.33 173.94 6.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.467 HD21 ' CA ' ' A' ' 103' ' ' GLY . 11.6 mt -78.16 154.79 79.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.5 Cg_endo -74.98 -161.41 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.454 1.765 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.47 169.44 23.44 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.18 4.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 140.6 25.56 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.79 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.6 p -113.51 -165.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 64.49 26.06 13.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.515 HD11 ' HG3' ' A' ' 96' ' ' MET . 0.2 OUTLIER -71.02 128.16 35.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.4 147.18 16.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.534 HG22 ' CG1' ' A' ' 29' ' ' ILE . 26.2 mm -99.73 121.03 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 m -127.17 167.89 15.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 41.07 54.67 3.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.534 ' CG1' HG22 ' A' ' 26' ' ' ILE . 8.5 mt -68.7 100.22 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -84.97 -168.82 45.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -48.11 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -128.98 10.25 5.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.418 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 1.1 p -147.35 148.47 31.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.032 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.632 HG13 HD12 ' A' ' 86' ' ' LEU . 1.1 m -149.72 164.1 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.7 m -107.28 113.24 26.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.429 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.475 ' HG ' ' CD1' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -96.98 129.06 44.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -111.12 143.81 41.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 35.3 p90 -157.58 -171.45 3.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -157.87 132.71 5.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 111.39 3.31 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.39 -72.03 0.85 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.495 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 10.6 t80 -129.37 86.71 2.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.06 -58.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.495 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 115.18 58.52 0.35 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt 43.45 34.42 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 44' ' ' GLY . 13.7 t -173.53 141.89 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.7 m -73.35 163.56 27.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.621 HG23 ' H ' ' A' ' 99' ' ' VAL . 7.5 mm -81.2 137.29 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.2 m -85.01 -27.91 26.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.424 ' CD ' HD13 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -170.24 138.77 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.561 ' CH2' HG13 ' A' ' 48' ' ' ILE . 46.0 m95 -95.66 135.44 37.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.913 ' HG ' HD13 ' A' ' 68' ' ' LEU . 1.6 tp -106.2 134.22 49.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.8 t -127.88 105.78 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -99.83 169.68 9.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -167.02 162.29 15.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.647 ' OE1' HG23 ' A' ' 60' ' ' VAL . 7.3 mt-30 -121.97 148.52 44.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.753 HG22 ' OH ' ' A' ' 92' ' ' TYR . 43.8 t -88.76 127.13 41.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.573 ' O ' HG12 ' A' ' 60' ' ' VAL . . . 38.77 -95.2 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.551 1.157 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' VAL . 46.9 t -50.77 99.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.726 HG21 ' HB2' ' A' ' 93' ' ' SER . 2.7 p -126.91 108.04 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.58 -90.74 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -144.34 -51.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 0.0 110.27 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -43.73 -47.64 7.51 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.431 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 1.3 mt-10 -72.42 148.9 44.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -88.61 168.76 12.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.521 ' CH2' ' HB3' ' A' ' 93' ' ' SER . 10.2 m95 -116.49 117.21 29.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 107.985 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 mt -107.18 158.32 17.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.913 HD13 ' HG ' ' A' ' 52' ' ' LEU . 1.7 tp -74.43 142.17 44.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.499 HD11 HG11 ' A' ' 83' ' ' VAL . 4.0 pt -124.35 -42.02 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.709 ' HB2' HG13 ' A' ' 83' ' ' VAL . 13.3 t60 -139.82 142.06 36.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.581 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.725 ' HB3' HD11 ' A' ' 68' ' ' LEU . 18.2 pt20 -144.72 133.94 22.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.647 HD21 ' CB ' ' A' ' 78' ' ' ALA . 23.8 tp -106.9 118.34 36.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.0 m -103.54 150.0 24.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.978 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 46.98 81.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.467 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 171.64 67.65 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -17.24 19.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -84.48 -22.26 30.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.586 1.179 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.647 ' CB ' HD21 ' A' ' 72' ' ' LEU . . . -58.33 108.84 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -88.56 -23.54 23.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.9 p -143.29 163.05 34.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.6 ptp -162.85 157.7 21.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.414 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 24.3 tt0 -89.65 138.74 31.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.709 HG13 ' HB2' ' A' ' 70' ' ' HIS . 3.1 t -115.4 93.65 36.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.431 ' HD2' ' CE1' ' A' ' 70' ' ' HIS . 18.2 Cg_endo -74.99 -165.01 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.792 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 46.98 65.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.632 HD12 HG13 ' A' ' 34' ' ' VAL . 72.4 mt -124.09 146.36 48.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.515 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 4.0 m120 -86.17 116.74 66.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.424 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.5 Cg_endo -74.95 151.56 39.93 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.539 1.81 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.433 ' CD2' ' O ' ' A' ' 89' ' ' PHE . 38.9 t80 54.92 42.31 31.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.1 m -147.77 139.12 23.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 62.9 m -74.64 118.89 18.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 108.304 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.753 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.8 m-85 -136.35 151.8 49.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.726 ' HB2' HG21 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -119.56 160.4 22.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 55' ' ' ALA . 62.7 m-85 -143.96 156.11 44.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.408 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 5.5 ptp180 -139.86 -169.74 2.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.573 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -135.38 164.38 27.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -167.65 144.57 4.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.451 ' HB2' ' CG ' ' A' ' 18' ' ' PRO . 35.7 mt-30 -113.81 148.27 36.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.621 ' H ' HG23 ' A' ' 48' ' ' ILE . 23.4 t -135.45 126.55 44.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.354 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -135.67 -178.67 5.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -11.9 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.694 HG21 ' O ' ' A' ' 16' ' ' GLU . 97.7 t -80.27 -72.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.467 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -163.92 -145.16 4.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.452 1.095 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.6 109.43 10.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 110.396 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.4 p -53.08 160.84 1.42 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 109.978 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.78 13.92 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.94 25.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.456 1.767 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 t -94.48 165.89 12.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.08 136.83 57.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 153.46 41.7 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.788 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.4 p -80.25 164.33 23.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.053 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -53.36 151.65 5.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 119.85 12.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.2 pp -112.94 168.08 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -126.47 108.07 10.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.424 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 36.6 p -57.82 157.86 7.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.439 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.4 mt -67.68 175.83 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -92.42 147.43 22.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.8 t -90.58 136.88 32.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.027 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -171.44 -166.47 30.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.434 1.084 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.13 25.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.1 t 64.69 160.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.019 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.67 104.26 16.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -173.36 157.04 3.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 0.758 . . . . 0.0 110.032 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 p -40.25 119.76 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.03 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.31 -138.89 3.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 t -123.97 -57.95 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.017 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.94 95.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.961 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.71 -121.61 0.29 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -106.6 154.86 20.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 0.736 . . . . 0.0 110.426 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.5 pp -84.1 160.13 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.0 m -96.21 148.89 22.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.981 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.7 t -61.66 -50.23 73.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.02 -138.36 8.57 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.5 p -106.18 122.23 42.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -74.99 147.7 34.33 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.495 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -74.98 167.06 27.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.894 ' O ' HG21 ' A' ' 102' ' ' VAL . 47.7 mt-10 -119.74 175.97 5.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.541 HD21 ' HA3' ' A' ' 103' ' ' GLY . 10.5 mt -76.83 153.61 83.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.2 Cg_endo -75.05 -161.13 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.544 1.813 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -134.0 168.86 23.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.15 5.17 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.477 1.777 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 136.58 20.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.1 p -112.48 -167.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 62.54 30.04 17.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.6 HD11 ' HB2' ' A' ' 96' ' ' MET . 0.1 OUTLIER -72.51 147.64 45.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.0 137.25 2.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.452 ' CD1' ' CB ' ' A' ' 111' ' ' SER . 5.3 mp -111.78 117.49 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.3 t -122.91 166.93 14.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.088 . . . . 0.0 109.966 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 58.72 42.63 19.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.551 HD13 ' HB ' ' A' ' 114' ' ' ILE . 24.4 mt -64.28 121.17 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -100.12 -155.55 27.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -57.41 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.769 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -130.28 24.12 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.77 136.85 16.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.725 HG13 HD12 ' A' ' 86' ' ' LEU . 1.8 m -144.41 163.6 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 26' ' ' ILE . 3.4 m -104.59 123.68 47.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.453 HD11 ' HB3' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -101.67 129.92 47.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -113.63 155.72 24.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -178.47 -177.33 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -149.82 134.98 9.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 109.81 3.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.63 -71.89 0.93 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.51 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 12.1 t80 -125.52 100.67 6.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.79 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -55.03 -51.43 66.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.51 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 110.63 33.61 2.42 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.483 1.114 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt 61.56 35.61 17.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -172.16 123.93 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.366 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 m -55.8 147.78 18.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.535 HG13 ' CH2' ' A' ' 51' ' ' TRP . 7.4 mm -67.0 144.78 14.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.6 t -92.02 -31.98 15.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.485 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -169.59 140.25 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.535 ' CH2' HG13 ' A' ' 48' ' ' ILE . 23.0 m95 -96.16 136.7 36.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.042 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.946 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -107.76 130.32 54.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 95' ' ' ARG . 47.7 t -122.41 104.97 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.472 ' HB2' ' CG ' ' A' ' 95' ' ' ARG . 9.5 mt-10 -104.45 159.14 15.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -148.83 164.0 35.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.583 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 4.1 mt-30 -120.08 143.08 48.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.147 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.577 ' HA ' ' CE1' ' A' ' 92' ' ' TYR . 1.6 p -89.24 132.44 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.894 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 37.26 -96.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 59' ' ' VAL . 12.2 p -45.95 97.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 58' ' ' GLY . 79.1 t -100.98 78.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 151.53 -145.79 13.93 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 55.01 -174.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.79 53.51 4.05 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -104.05 174.13 6.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.747 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -108.08 164.27 12.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.622 ' CD2' ' CZ ' ' A' ' 95' ' ' ARG . 5.4 m95 -114.91 107.01 14.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 108.034 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mt -88.21 151.48 22.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.946 HD13 ' HG ' ' A' ' 52' ' ' LEU . 9.1 tp -78.14 153.31 32.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.552 HD11 HG11 ' A' ' 83' ' ' VAL . 3.8 pt -133.2 -48.32 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.77 ' HB2' HG13 ' A' ' 83' ' ' VAL . 41.1 t60 -129.29 151.28 50.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.597 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.455 ' OE1' HD21 ' A' ' 68' ' ' LEU . 17.0 pt20 -155.95 127.45 7.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.495 HD11 ' OE2' ' A' ' 75' ' ' GLU . 42.3 tp -104.01 109.39 21.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.14 155.75 16.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.5 t30 40.95 77.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.495 ' OE2' HD11 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 176.97 64.95 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.316 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.78 8.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -115.44 50.48 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.08 108.12 9.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -76.5 -33.5 58.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.5 p -143.3 168.55 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -165.72 158.46 15.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.453 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 23.5 tt0 -84.56 139.9 31.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.77 HG13 ' HB2' ' A' ' 70' ' ' HIS . 8.4 t -113.66 94.12 31.24 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -164.77 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 t70 44.63 65.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.725 HD12 HG13 ' A' ' 34' ' ' VAL . 42.3 mt -120.41 142.16 49.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 0.7 OUTLIER -88.12 113.61 55.71 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.483 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.4 Cg_endo -74.96 146.15 32.48 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.2 t80 68.71 37.4 2.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.0 m -148.12 138.03 22.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.353 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 69.2 m -77.07 117.43 18.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 108.299 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 56' ' ' GLN . 4.2 m-85 -136.51 162.12 33.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.604 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 73.8 m -119.48 -176.92 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 93' ' ' SER . 52.2 m-85 -156.77 127.36 6.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.622 ' CZ ' ' CD2' ' A' ' 66' ' ' TRP . 5.8 ptp180 -127.14 144.78 50.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.6 ' HB2' HD11 ' A' ' 24' ' ' LEU . 17.4 mmm -97.19 160.07 14.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -156.6 148.54 22.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -114.37 148.18 38.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.943 HG22 ' OG1' ' A' ' 104' ' ' THR . 91.9 t -139.53 124.54 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -133.09 -179.77 5.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.401 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.4 OUTLIER -61.48 -13.55 8.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.894 HG21 ' O ' ' A' ' 16' ' ' GLU . 24.8 t -79.95 -70.16 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.541 ' HA3' HD21 ' A' ' 17' ' ' LEU . . . -165.74 -150.19 6.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.943 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -126.9 101.66 6.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 110.408 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 p -42.44 163.31 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.08 13.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 140.19 25.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.5 t -94.3 166.9 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.74 137.74 24.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.56 42.13 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.452 ' CB ' ' CD1' ' A' ' 26' ' ' ILE . 53.3 p -75.66 167.03 22.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.954 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -64.27 159.51 20.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 113.57 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.551 ' HB ' HD13 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -107.54 -174.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -147.55 109.54 4.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 18.1 p -66.51 144.44 56.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.369 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 39.2 mt -64.16 176.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -86.96 150.8 23.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.4 t -88.69 136.93 32.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.003 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -122.84 159.42 17.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -57.61 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 58.4 m 63.93 104.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.019 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.36 125.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.96 -58.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 0.747 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.1 p -40.37 142.26 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.59 -177.64 28.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.28 122.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -150.39 -59.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.032 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.18 130.82 8.36 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.561 1.163 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.0 p -80.87 92.01 6.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 110.454 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp 64.25 121.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.77 -55.94 1.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -163.46 126.97 2.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.72 173.63 0.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.535 HG13 ' HD2' ' A' ' 14' ' ' PRO . 60.2 t -109.57 141.37 23.47 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.535 ' HD2' HG13 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 147.65 34.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.492 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.05 161.0 39.32 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.618 ' O ' HG21 ' A' ' 102' ' ' VAL . 48.9 mt-10 -117.3 176.89 4.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.506 HD21 ' CA ' ' A' ' 103' ' ' GLY . 8.3 mt -77.65 152.17 80.46 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -161.58 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.49 167.32 20.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 120.0 5.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 145.25 31.05 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.518 1.799 . . . . 0.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.0 p -120.48 -168.07 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.365 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 63.29 24.93 14.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD11 ' HB2' ' A' ' 96' ' ' MET . 0.2 OUTLIER -68.12 133.57 49.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.32 142.42 7.71 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.555 1.16 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.453 HG22 HG13 ' A' ' 29' ' ' ILE . 4.6 mp -111.05 129.37 66.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.3 m -130.19 168.97 15.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 50.28 43.47 26.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.453 HG13 HG22 ' A' ' 26' ' ' ILE . 7.4 mt -56.69 110.2 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.08 -169.62 46.13 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -44.15 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -134.05 10.8 3.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.3 139.78 24.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.971 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.671 HG13 HD12 ' A' ' 86' ' ' LEU . 2.4 m -140.92 165.28 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 m -106.87 110.12 22.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.368 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 tt -92.76 116.0 28.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -99.97 142.58 31.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.565 ' CE1' ' O ' ' A' ' 79' ' ' ARG . 20.6 p90 -157.18 179.26 9.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -145.72 129.79 8.66 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 115.29 4.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.81 . . . . 0.0 110.966 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.33 -78.72 0.54 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -127.41 124.49 38.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.26 -59.34 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.13 36.75 1.19 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.6 mttt 79.27 3.0 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.45 HG23 ' HB2' ' A' ' 100' ' ' ASN . 4.1 t -153.52 126.08 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.452 ' C ' HD13 ' A' ' 48' ' ' ILE . 2.2 m -55.18 -175.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.551 HG23 ' H ' ' A' ' 99' ' ' VAL . 5.3 mm -94.62 147.93 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.49 -26.63 13.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.461 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 3.7 tmm_? -169.94 142.26 2.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.453 ' CH2' HG13 ' A' ' 48' ' ' ILE . 19.8 m95 -99.37 129.13 45.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.018 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.968 ' HG ' HD13 ' A' ' 68' ' ' LEU . 2.9 tp -102.25 126.43 49.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.422 ' O ' HD12 ' A' ' 68' ' ' LEU . 36.4 t -116.76 106.61 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' OE1' ' NH2' ' A' ' 97' ' ' ARG . 39.5 mt-10 -100.43 163.82 12.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -162.62 160.26 25.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.46 146.82 45.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.773 HG22 ' OH ' ' A' ' 92' ' ' TYR . 45.3 t -81.07 133.03 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.635 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 35.03 -100.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 59' ' ' VAL . 6.4 p -40.56 103.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 58' ' ' GLY . 97.0 t -89.98 77.75 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.85 -148.06 17.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.551 1.157 . . . . 0.0 111.042 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 67.09 65.47 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 110.265 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 49.76 43.75 38.65 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -120.17 128.14 53.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.3 169.31 14.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.517 ' CH2' ' HB3' ' A' ' 93' ' ' SER . 5.6 m95 -114.48 128.43 56.33 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mt -107.74 154.97 20.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.968 HD13 ' HG ' ' A' ' 52' ' ' LEU . 9.1 tp -76.92 154.52 33.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.557 HD11 HG11 ' A' ' 83' ' ' VAL . 6.2 pt -135.06 -46.88 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.771 ' HB2' HG13 ' A' ' 83' ' ' VAL . 57.5 t60 -132.2 135.46 46.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.615 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.438 ' HG2' HD21 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -140.2 118.46 12.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.3 tp -103.95 117.28 33.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 m -104.73 148.04 27.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.434 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 71.5 m-80 59.89 87.03 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER 164.63 68.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.27 7.95 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -101.82 -43.28 5.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -43.42 111.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.565 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -91.7 -26.26 18.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.348 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.53 160.2 41.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.965 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -163.95 160.64 22.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -82.91 142.79 31.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.771 HG13 ' HB2' ' A' ' 70' ' ' HIS . 22.9 t -117.78 93.75 44.58 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.418 ' HD2' ' ND1' ' A' ' 70' ' ' HIS . 18.1 Cg_endo -74.98 -163.91 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.444 1.76 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 t0 48.51 65.47 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.671 HD12 HG13 ' A' ' 34' ' ' VAL . 84.6 mt -125.82 150.45 47.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -88.55 120.54 70.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.481 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -75.03 139.99 24.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.0 t80 61.91 46.1 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 78.1 m -148.07 136.59 21.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.344 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 61.6 m -74.48 124.54 26.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 108.288 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.773 ' OH ' HG22 ' A' ' 57' ' ' VAL . 2.1 m-85 -143.53 162.55 35.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.559 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 4.6 t -119.46 173.31 7.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.983 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 93' ' ' SER . 45.9 m-85 -157.17 140.75 15.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.25 -168.86 2.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.467 ' HE2' ' CD2' ' A' ' 38' ' ' PHE . 18.9 mmm -142.56 159.58 41.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.416 ' NH2' ' OE1' ' A' ' 54' ' ' GLU . 17.4 mtt180 -157.16 150.54 24.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -115.69 141.72 47.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.936 HG22 ' OG1' ' A' ' 104' ' ' THR . 78.9 t -128.82 125.24 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.45 ' HB2' HG23 ' A' ' 46' ' ' THR . 32.6 p-10 -131.21 -179.53 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -13.49 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.618 HG21 ' O ' ' A' ' 16' ' ' GLU . 93.4 t -81.05 -80.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.506 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -156.56 -155.52 7.46 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.936 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -119.72 103.58 9.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.783 . . . . 0.0 110.457 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.23 165.89 0.13 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.041 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 174.41 12.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.475 1.776 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 139.18 23.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.5 t -94.4 158.3 15.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -47.01 137.57 7.81 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.54 42.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.79 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 p -77.43 174.67 10.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.038 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -69.09 168.42 13.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.62 121.37 18.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 pp -117.96 170.16 7.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -134.16 120.1 19.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.347 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.6 p -75.37 156.81 35.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 20.5 mt -73.98 178.05 5.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -93.6 148.71 21.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.1 t -110.02 139.23 45.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.994 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 137.36 167.43 11.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 77.76 3.07 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.77 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -157.08 137.37 12.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.73 138.49 36.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.03 161.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.1 99.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.068 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.32 -133.67 39.13 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -179.02 103.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 0.813 . . . . 0.0 110.006 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.29 156.24 47.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.009 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.85 121.77 1.33 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.4 p -117.8 84.37 2.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 110.397 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 9' ' ' ILE . 14.1 mt 63.72 74.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.5 p -98.07 77.89 2.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.67 92.18 4.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.22 171.28 35.11 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.54 134.05 23.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -74.99 147.81 34.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.555 ' HG2' HG22 ' A' ' 102' ' ' VAL . 18.5 Cg_endo -74.96 156.39 43.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -111.88 167.98 9.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 17' ' ' LEU . 8.2 mt -77.01 153.81 82.75 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.5 Cg_endo -74.97 -176.89 3.1 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.443 1.759 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.56 173.66 18.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.26 5.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 156.94 42.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.773 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.5 p -125.2 -165.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.42 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.3 m120 61.44 34.44 18.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.342 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.64 HD11 ' HG3' ' A' ' 96' ' ' MET . 0.1 OUTLIER -79.49 132.11 36.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -145.66 159.44 27.92 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.742 HG22 HD11 ' A' ' 29' ' ' ILE . 15.7 mm -124.4 104.44 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.54 172.61 10.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 46.69 52.79 10.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.742 HD11 HG22 ' A' ' 26' ' ' ILE . 62.4 mt -77.89 101.53 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.92 -158.87 29.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.429 1.081 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -56.9 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.523 1.801 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -126.96 21.59 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.427 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 0.8 OUTLIER -151.45 143.2 23.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.763 HG13 HD12 ' A' ' 86' ' ' LEU . 2.2 m -151.23 153.27 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.0 m -95.43 129.58 42.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.562 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -114.6 119.48 36.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -99.73 141.46 32.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.592 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 30.0 p90 -156.04 -179.59 8.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -148.5 136.0 10.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 106.75 2.34 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.31 -45.0 32.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 25.1 t80 -157.78 97.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 110.999 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.558 ' HA ' HD11 ' A' ' 48' ' ' ILE . 16.9 m-20 -59.41 -57.34 13.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.66 41.56 0.29 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt 49.82 28.46 2.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 0.0 109.298 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 47' ' ' SER . 7.5 t -156.96 24.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.463 ' O ' HD13 ' A' ' 48' ' ' ILE . 6.3 t 43.64 -166.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.619 HD12 ' HB3' ' A' ' 98' ' ' GLN . 25.2 mm -113.23 144.85 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.08 -34.57 11.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -159.57 137.88 10.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.53 ' CZ3' HG13 ' A' ' 48' ' ' ILE . 18.5 m95 -97.12 124.11 41.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 107.98 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.881 ' HG ' HD13 ' A' ' 68' ' ' LEU . 3.4 tp -95.85 143.43 27.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.0 t -134.14 114.01 18.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -108.23 169.49 8.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -163.47 161.56 24.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.4 137.91 54.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.245 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.773 HG22 ' OH ' ' A' ' 92' ' ' TYR . 29.4 t -76.07 134.99 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.877 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.42 -98.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.573 1.171 . . . . 0.0 111.027 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 57' ' ' VAL . 3.1 p -41.1 118.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 58' ' ' GLY . 72.1 t -120.05 80.04 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -167.72 174.92 42.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -52.29 175.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 110.32 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.98 -44.98 3.41 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.138 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.23 154.14 23.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 0.774 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -91.78 165.07 13.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.601 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 11.3 m95 -118.35 113.1 20.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.002 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.3 mt -102.67 158.2 16.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.881 HD13 ' HG ' ' A' ' 52' ' ' LEU . 2.4 tp -73.19 151.03 41.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.55 HG21 ' HB3' ' A' ' 55' ' ' ALA . 7.0 pt -132.19 -44.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.466 ' CB ' HG13 ' A' ' 83' ' ' VAL . 79.9 t60 -136.01 137.05 40.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.621 ' HB3' HD11 ' A' ' 68' ' ' LEU . 22.6 pt20 -142.13 124.61 15.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.7 tp -106.75 124.18 49.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.3 OUTLIER -108.64 163.13 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 0.8 OUTLIER 38.93 83.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.474 ' OE2' ' HB2' ' A' ' 78' ' ' ALA . 0.0 OUTLIER 166.48 67.86 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -26.88 10.47 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.461 1.769 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -69.92 -35.98 74.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.474 ' HB2' ' OE2' ' A' ' 75' ' ' GLU . . . -48.87 116.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -97.12 -21.32 17.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.299 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.2 p -143.27 165.15 28.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.06 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -169.81 162.14 9.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -89.37 145.26 25.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 110.342 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.466 HG13 ' CB ' ' A' ' 70' ' ' HIS . 16.0 t -114.14 93.59 31.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 85' ' ' ASP . 18.2 Cg_endo -74.99 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.462 1.769 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.554 ' O ' HD23 ' A' ' 86' ' ' LEU . 21.8 t0 40.13 69.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.763 HD12 HG13 ' A' ' 34' ' ' VAL . 19.7 mt -122.29 150.58 42.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -87.58 115.29 62.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.421 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.3 Cg_endo -74.98 155.72 43.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.402 ' CD2' ' O ' ' A' ' 89' ' ' PHE . 35.1 t80 47.75 42.34 15.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.953 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.4 m -147.43 136.4 22.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 57.0 m -74.4 114.08 12.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 108.256 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.773 ' OH ' HG22 ' A' ' 57' ' ' VAL . 2.2 m-85 -135.34 158.3 44.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 110.968 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.557 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 4.0 t -119.54 177.12 5.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.401 ' CG ' ' C ' ' A' ' 93' ' ' SER . 59.6 m-85 -156.8 135.13 11.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.601 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 5.6 ptp180 -122.63 -170.35 2.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.64 ' HG3' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -131.61 166.36 21.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.442 ' HD3' ' CG2' ' A' ' 104' ' ' THR . 6.6 mtt180 -170.25 143.97 2.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.619 ' HB3' HD12 ' A' ' 48' ' ' ILE . 70.5 mt-30 -113.81 138.47 50.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 1.041 HG22 ' OG1' ' A' ' 104' ' ' THR . 55.5 t -127.75 120.56 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 103' ' ' GLY . 34.4 p-10 -123.68 174.34 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.45 ' H ' HG22 ' A' ' 101' ' ' ILE . 1.2 tt -54.89 -18.87 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.555 HG22 ' HG2' ' A' ' 15' ' ' PRO . 38.2 t -80.44 -73.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' ' OD1' ' A' ' 100' ' ' ASN . . . -164.09 -144.29 3.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.431 1.082 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . 1.041 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -130.59 148.15 52.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.767 . . . . 0.0 110.408 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.408 ' CB ' ' CD ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -82.05 173.78 7.1 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.984 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 105' ' ' SER . 18.4 Cg_endo -75.01 168.09 25.6 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.477 1.777 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.407 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -75.02 136.1 19.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.1 t -94.8 149.44 21.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.8 147.84 0.39 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 149.26 36.28 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.0 p -77.61 155.5 31.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.028 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -43.66 149.35 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.44 139.11 51.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.484 ' HB ' HD13 ' A' ' 29' ' ' ILE . 2.0 pp -139.57 176.09 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.6 118.87 20.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 22.5 p -68.96 149.8 48.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 54.1 mt -68.02 173.24 4.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -86.88 136.42 32.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.8 t -74.3 158.02 34.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.045 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -179.81 176.47 47.53 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 58.87 5.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.448 1.762 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.45 122.57 30.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.031 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.16 -58.01 2.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.48 -52.86 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 0.737 . . . . 0.0 109.968 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m 52.97 80.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.24 -78.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -64.45 166.5 8.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 110.02 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 p -68.7 166.77 16.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.65 -144.06 5.03 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.2 p -122.02 -44.22 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.41 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 mt -75.8 -63.39 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.9 p -174.68 150.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.2 85.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.21 -156.11 1.1 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.571 HG13 ' HD2' ' A' ' 14' ' ' PRO . 62.4 t -114.49 141.74 27.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.571 ' HD2' HG13 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 147.93 34.57 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.432 1.754 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.491 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -75.04 161.42 38.66 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.929 ' O ' HG21 ' A' ' 102' ' ' VAL . 43.7 mt-10 -111.59 175.74 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.522 HD21 ' HA3' ' A' ' 103' ' ' GLY . 12.2 mt -77.76 154.96 80.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -166.37 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.541 1.811 . . . . 0.0 111.053 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.34 164.82 20.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 120.11 5.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.97 37.39 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.465 1.771 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.7 p -124.85 -166.3 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.359 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 m120 61.49 31.7 18.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.67 133.07 42.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.626 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -152.22 153.56 24.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.495 HG22 ' CG1' ' A' ' 29' ' ' ILE . 10.5 mm -110.61 117.51 55.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.9 t -129.48 166.13 20.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 42.2 55.79 3.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.495 ' CG1' HG22 ' A' ' 26' ' ' ILE . 8.5 mt -71.27 100.55 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.74 -168.57 39.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -50.04 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -128.64 11.28 6.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.09 139.04 23.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.97 HG13 HD12 ' A' ' 86' ' ' LEU . 1.5 m -143.69 161.86 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 m -106.37 120.1 40.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 25' ' ' GLY . 0.4 OUTLIER -106.94 122.61 46.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -101.11 143.03 31.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.548 ' CE2' ' HE1' ' A' ' 96' ' ' MET . 11.3 p90 -154.22 -174.73 5.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -149.87 130.65 7.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 109.87 3.01 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.45 -54.53 25.84 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.443 1.09 . . . . 0.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.564 ' CE2' ' HA2' ' A' ' 44' ' ' GLY . 47.9 t80 -157.61 137.69 12.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -81.48 -61.52 1.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.564 ' HA2' ' CE2' ' A' ' 42' ' ' TYR . . . 119.81 33.81 1.04 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 44' ' ' GLY . 5.3 mttt 89.09 -22.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.8 t -127.85 130.57 48.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.0 p -55.59 -179.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' A' ' 98' ' ' GLN . 19.7 mm -90.84 146.12 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.2 m -98.17 -27.67 14.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.483 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -171.22 143.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.45 ' CH2' HG13 ' A' ' 48' ' ' ILE . 13.2 m95 -99.64 143.61 29.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.005 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.958 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -112.49 133.21 54.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.2 t -127.51 104.8 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -101.13 164.64 11.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -151.34 163.86 37.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -120.14 140.24 51.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.805 HG22 ' OH ' ' A' ' 92' ' ' TYR . 26.3 t -80.44 128.21 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.992 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.78 -96.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 57' ' ' VAL . 98.4 t -40.77 107.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.992 HG23 ' O ' ' A' ' 58' ' ' GLY . 84.3 t -111.39 79.27 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -169.74 168.93 41.73 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.37 170.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.47 -48.66 3.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.72 164.04 25.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.71 157.68 16.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.602 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 8.5 m95 -111.26 114.37 27.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 107.968 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.8 mt -104.54 158.44 16.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.958 HD13 ' HG ' ' A' ' 52' ' ' LEU . 5.2 tp -78.05 152.49 32.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.439 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 3.4 pt -136.99 -47.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.732 ' CB ' HG13 ' A' ' 83' ' ' VAL . 85.5 t60 -127.65 140.22 52.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.611 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.556 ' HB3' HD11 ' A' ' 68' ' ' LEU . 18.8 pt20 -149.19 124.84 10.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.3 tp -103.55 114.34 28.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 74' ' ' ASN . 3.6 m -98.18 155.53 17.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 73' ' ' SER . 3.5 t30 40.21 84.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 173.07 65.05 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -2.51 12.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.468 1.772 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.05 48.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.07 99.52 6.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -65.04 -36.55 84.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.238 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.4 p -143.74 167.71 21.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.9 ptp -160.28 157.93 28.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.487 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 12.8 tt0 -87.87 140.14 29.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.253 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.732 HG13 ' CB ' ' A' ' 70' ' ' HIS . 24.4 t -114.09 93.58 30.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.423 ' HD2' ' ND1' ' A' ' 70' ' ' HIS . 18.3 Cg_endo -75.0 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.568 ' O ' HD23 ' A' ' 86' ' ' LEU . 2.6 t70 44.86 63.75 1.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.97 HD12 HG13 ' A' ' 34' ' ' VAL . 17.3 mt -120.38 140.79 50.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -86.29 114.2 56.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.489 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.2 Cg_endo -75.02 150.2 37.72 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.426 1.751 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.6 t80 62.58 36.99 13.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.1 m -147.71 136.28 21.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.389 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 57.4 m -74.61 114.04 12.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.281 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.805 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.3 m-85 -133.46 160.42 37.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.506 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -119.13 175.27 5.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 93' ' ' SER . 58.6 m-85 -154.41 141.83 19.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.602 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 4.5 ptp180 -130.97 -169.93 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.548 ' HE1' ' CE2' ' A' ' 38' ' ' PHE . 22.5 mmm -141.24 159.9 41.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -160.11 155.68 25.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.596 ' HB3' HD12 ' A' ' 48' ' ' ILE . 61.8 mt-30 -119.5 136.06 54.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.476 HG22 ' OG1' ' A' ' 104' ' ' THR . 10.7 t -124.48 121.23 61.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 36.2 p30 -132.86 179.56 6.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.407 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.4 OUTLIER -60.27 -15.14 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.929 HG21 ' O ' ' A' ' 16' ' ' GLU . 19.9 t -80.25 -63.71 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.522 ' HA3' HD21 ' A' ' 17' ' ' LEU . . . -177.37 -151.29 9.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.476 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -122.52 114.75 21.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 0.0 110.427 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.22 166.05 0.45 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 173.94 13.63 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.418 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.3 Cg_endo -75.01 136.81 20.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 t -93.97 164.31 13.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.057 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.05 132.62 22.92 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 152.67 41.38 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.487 1.782 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.1 p -79.02 159.0 27.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.023 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -57.58 157.41 7.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.97 114.0 4.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.429 HD11 ' HE2' ' A' ' 94' ' ' PHE . 1.5 pp -107.25 166.29 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -122.14 116.09 23.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 p -72.87 150.81 42.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.386 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.489 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 36.0 mt -65.34 174.4 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -90.27 148.52 22.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 t -101.74 145.03 29.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 117.65 163.45 12.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.138 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 57.37 4.54 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.3 t -40.29 141.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.54 81.48 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.972 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -97.94 163.48 12.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 0.798 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 p -46.64 112.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.03 120.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.507 1.13 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 p -158.4 82.59 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 0.731 . . . . 0.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.18 149.77 40.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.58 104.9 0.47 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 t -103.43 151.43 22.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 110.449 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.6 mt -94.51 104.5 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.27 -22.57 32.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.051 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.9 t -153.62 -59.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.986 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.82 -116.85 0.83 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.462 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 39.7 t -116.45 140.5 26.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.462 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.05 147.33 33.59 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.532 1.806 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 18.4 Cg_endo -74.94 164.21 33.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 75.5 mm-40 -122.43 -179.32 4.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.476 HD21 ' CA ' ' A' ' 103' ' ' GLY . 7.3 mt -82.26 152.84 68.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.3 Cg_endo -75.01 -163.11 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.477 1.777 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.25 169.31 21.79 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.92 4.73 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 142.87 28.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.77 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.7 p -121.65 -165.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m120 64.86 25.42 12.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 96' ' ' MET . 0.1 OUTLIER -69.32 137.15 52.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.498 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -148.91 163.94 29.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.609 HD13 ' HG ' ' A' ' 36' ' ' LEU . 4.9 mm -127.04 105.41 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 98.5 p -121.36 172.87 7.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 41.59 54.03 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.519 ' CG1' HG22 ' A' ' 26' ' ' ILE . 27.5 mt -71.28 101.27 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.51 -168.58 42.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.29 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -135.3 12.39 3.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.16 139.65 23.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.957 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.661 HG13 HD12 ' A' ' 86' ' ' LEU . 1.4 m -144.02 164.67 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.2 m -106.14 116.11 31.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.609 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -101.88 116.32 32.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -99.71 142.4 31.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.418 ' CE1' ' HE3' ' A' ' 81' ' ' MET . 29.8 p90 -154.03 178.51 9.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.06 131.64 10.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.344 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 106.84 2.35 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.04 -63.5 3.79 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 2.2 t80 -136.2 101.28 4.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 0.732 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.53 -50.51 71.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.478 ' O ' HG22 ' A' ' 46' ' ' THR . . . 109.67 43.77 1.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt 54.85 32.97 18.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 44' ' ' GLY . 6.9 t -170.59 126.78 0.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.415 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.1 m -59.1 147.99 32.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.41 HG13 ' CH2' ' A' ' 51' ' ' TRP . 7.3 mm -65.86 141.8 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.9 -28.63 17.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.97 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.441 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -168.42 141.54 3.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.237 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.41 ' CH2' HG13 ' A' ' 48' ' ' ILE . 32.5 m95 -98.94 135.22 40.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 108.008 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.901 ' HG ' HD13 ' A' ' 68' ' ' LEU . 1.2 tp -106.58 130.54 54.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.8 t -125.11 104.76 13.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.456 ' OE2' ' N ' ' A' ' 68' ' ' LEU . 3.3 mt-10 -98.85 166.4 11.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.543 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -162.57 155.3 19.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.453 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 1.5 mt-30 -116.75 131.9 56.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.776 HG13 ' OH ' ' A' ' 92' ' ' TYR . 46.5 t -72.04 133.57 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.522 ' O ' HG12 ' A' ' 60' ' ' VAL . . . 37.48 -95.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.649 HG13 ' O ' ' A' ' 59' ' ' VAL . 7.4 p -52.64 98.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.944 HG21 ' HB2' ' A' ' 93' ' ' SER . 3.3 p -126.63 80.07 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -153.17 167.37 31.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.03 111.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 110.334 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 147.79 -38.16 1.07 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.41 178.35 5.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -104.66 170.05 8.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.596 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 8.3 m95 -120.14 133.23 55.56 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 66' ' ' TRP . 12.0 mt -119.27 154.56 33.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.901 HD13 ' HG ' ' A' ' 52' ' ' LEU . 1.2 tp -75.87 149.71 37.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.501 HD13 ' HB3' ' A' ' 55' ' ' ALA . 3.5 pt -134.46 -45.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.569 ' CD2' ' O ' ' A' ' 82' ' ' GLU . 28.8 t60 -130.69 139.82 50.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.592 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.678 ' HB3' HD11 ' A' ' 68' ' ' LEU . 14.1 pt20 -146.16 128.43 15.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 75' ' ' GLU . 23.8 tp -103.59 116.56 32.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.6 m -99.39 154.77 17.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 40.49 84.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.52 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.0 OUTLIER 169.91 66.3 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -20.0 17.23 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -77.41 -37.21 52.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.48 ' CB ' HD21 ' A' ' 72' ' ' LEU . . . -43.92 116.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -27.25 17.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.246 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.8 p -143.1 162.88 34.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.418 ' HE3' ' CE1' ' A' ' 38' ' ' PHE . 3.5 ptt? -164.42 162.11 21.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.569 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 13.3 tt0 -89.86 146.09 24.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.542 ' O ' HD11 ' A' ' 86' ' ' LEU . 11.1 t -116.97 94.21 43.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.422 ' HD2' ' ND1' ' A' ' 70' ' ' HIS . 18.4 Cg_endo -74.98 -163.27 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.412 ' O ' HD23 ' A' ' 86' ' ' LEU . 7.2 m-20 47.22 60.08 3.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.661 HD12 HG13 ' A' ' 34' ' ' VAL . 58.3 mt -119.39 142.69 47.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -87.13 121.42 71.49 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.44 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.4 Cg_endo -74.98 154.59 42.72 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.6 t80 49.65 42.59 23.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 99.6 m -147.65 138.21 23.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.432 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 58.8 m -74.37 120.37 19.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 108.308 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.776 ' OH ' HG13 ' A' ' 57' ' ' VAL . 2.0 m-85 -139.4 156.78 46.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.16 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.944 ' HB2' HG21 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -119.35 171.32 8.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.051 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.422 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 79.7 m-85 -154.37 144.91 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.596 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 6.2 ptp180 -133.3 -172.55 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.479 ' HB2' HD11 ' A' ' 24' ' ' LEU . 22.9 mmm -140.23 159.73 41.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -155.7 163.73 39.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -128.39 128.17 43.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.962 HG22 ' OG1' ' A' ' 104' ' ' THR . 23.6 t -118.49 127.95 75.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 103' ' ' GLY . 47.6 p-10 -133.98 178.03 7.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.44 ' H ' HG22 ' A' ' 101' ' ' ILE . 0.1 OUTLIER -53.01 -34.48 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 85.4 t -65.29 -75.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.476 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -162.3 -154.59 7.62 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.962 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -118.0 129.94 55.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.764 . . . . 0.0 110.374 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.7 166.55 7.26 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 173.8 13.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.413 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -74.97 135.9 19.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.448 1.762 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.9 t -94.26 167.76 11.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.965 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -55.46 134.41 70.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.263 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 153.47 41.46 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.0 p -78.6 145.86 34.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.406 ' O ' HG23 ' A' ' 114' ' ' ILE . 0.9 OUTLIER -45.38 156.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 110.282 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 115.93 4.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 112' ' ' ARG . 1.1 pp -106.14 172.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -131.85 108.88 9.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.44 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 70.1 p -66.47 167.15 11.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.402 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 23.1 mt -82.65 176.72 9.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -93.51 147.58 22.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.359 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.8 t -104.25 90.32 3.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -144.49 179.37 21.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 168.43 24.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.5 t -127.2 96.69 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.0 p -116.87 122.74 45.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -164.58 136.74 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 110.01 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.53 116.11 2.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.11 -132.28 6.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.21 104.92 5.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 109.98 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -176.91 160.45 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.98 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.09 -134.34 11.73 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.1 p -62.7 177.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.379 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 tt -93.34 145.23 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.2 t -111.73 -62.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 m 74.43 -68.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.26 123.4 32.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.7 p -66.45 134.06 94.45 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.02 147.44 33.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.474 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.4 Cg_endo -74.97 160.42 40.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.443 1.759 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.487 ' O ' HG21 ' A' ' 102' ' ' VAL . 77.6 mm-40 -116.31 177.39 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.534 HD21 ' CA ' ' A' ' 103' ' ' GLY . 7.4 mt -77.65 150.77 79.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.494 ' CG ' ' HB3' ' A' ' 98' ' ' GLN . 18.2 Cg_endo -75.03 -165.56 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.92 168.76 21.18 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 119.47 5.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 135.85 19.54 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.481 1.78 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.4 p -109.56 -166.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.368 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 61.47 30.86 19.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.42 131.18 41.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -150.31 146.78 16.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.611 HD13 ' HG ' ' A' ' 36' ' ' LEU . 3.3 mm -113.68 106.66 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.749 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.6 m -120.17 172.25 7.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 47.35 53.99 10.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.474 HD13 ' HB ' ' A' ' 114' ' ' ILE . 24.2 mt -75.1 100.88 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.36 -160.41 29.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -50.31 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.09 12.78 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.434 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 2.5 m -143.19 146.1 33.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.859 HG13 HD12 ' A' ' 86' ' ' LEU . 1.5 m -151.64 160.33 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.6 m -99.09 133.85 42.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.424 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.611 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -115.41 132.16 56.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -120.52 140.75 51.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 38' ' ' PHE . 11.5 p90 -156.07 -171.12 3.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.6 mtt85 -153.69 133.71 7.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 105.8 2.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.449 1.762 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.35 -65.18 3.43 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.479 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 8.1 t80 -142.7 91.91 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' TYR . 61.5 m-20 -40.37 -61.72 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.479 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 121.7 37.93 0.64 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 58.33 36.7 25.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -171.43 118.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 p -47.04 146.94 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.579 HG13 ' CH2' ' A' ' 51' ' ' TRP . 5.5 mm -65.75 143.73 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.55 -39.31 12.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -171.2 141.88 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.579 ' CH2' HG13 ' A' ' 48' ' ' ILE . 4.9 m95 -97.18 137.82 35.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 107.995 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.936 ' HG ' HD13 ' A' ' 68' ' ' LEU . 1.2 tp -107.76 128.57 54.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -121.52 106.2 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -101.91 171.57 7.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -161.4 158.65 27.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -116.65 158.66 23.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.853 HG22 ' OH ' ' A' ' 92' ' ' TYR . 93.3 t -96.18 127.61 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.895 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.55 -95.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 57' ' ' VAL . 53.7 t -41.17 98.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 58' ' ' GLY . 65.8 t -98.37 84.83 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -125.82 176.55 17.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -92.47 -22.94 19.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.266 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.23 -40.48 99.11 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.28 136.77 36.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.488 ' HG3' ' CD2' ' A' ' 67' ' ' LEU . 1.7 pt-20 -62.77 -177.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.43 ' CD1' ' NH2' ' A' ' 95' ' ' ARG . 8.2 m95 -126.95 128.89 47.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 107.982 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.488 ' CD2' ' HG3' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -103.74 149.51 24.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.936 HD13 ' HG ' ' A' ' 52' ' ' LEU . 3.1 tp -76.7 151.04 36.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.452 HD11 HG11 ' A' ' 83' ' ' VAL . 6.6 pt -136.42 -45.67 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.744 ' CB ' HG13 ' A' ' 83' ' ' VAL . 69.8 t60 -130.81 139.48 50.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.631 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.678 ' HB3' HD11 ' A' ' 68' ' ' LEU . 15.5 pt20 -147.58 123.22 10.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.0 tp -103.76 116.71 32.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 m -103.29 154.5 19.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.997 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.403 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 8.9 t-20 48.14 84.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.426 ' CD ' ' HB2' ' A' ' 78' ' ' ALA . 0.0 OUTLIER 167.59 70.71 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -23.38 13.82 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.504 1.792 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.32 -37.32 60.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.426 ' HB2' ' CD ' ' A' ' 75' ' ' GLU . . . -42.58 130.04 4.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.1 mmt-85 -112.93 -23.84 9.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.8 p -143.41 152.53 41.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.965 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -156.69 158.07 36.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.443 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 14.8 tt0 -88.14 146.84 25.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.744 HG13 ' CB ' ' A' ' 70' ' ' HIS . 3.8 t -119.38 92.99 46.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -164.42 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.51 ' O ' HD23 ' A' ' 86' ' ' LEU . 8.0 t0 43.88 67.46 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.859 HD12 HG13 ' A' ' 34' ' ' VAL . 11.7 mt -118.63 150.65 39.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -86.44 113.68 53.77 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.425 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.4 Cg_endo -74.97 154.7 42.83 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.519 1.8 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 t80 49.54 38.99 15.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.0 m -146.47 136.26 23.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.418 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 57.6 m -75.25 114.32 13.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 108.339 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.853 ' OH ' HG22 ' A' ' 57' ' ' VAL . 2.0 m-85 -131.76 159.74 37.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.493 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 22.8 p -119.51 171.28 8.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -151.78 143.48 23.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.43 ' NH2' ' CD1' ' A' ' 66' ' ' TRP . 4.3 ptp180 -132.1 -172.46 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.259 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.401 ' HE1' ' CE2' ' A' ' 38' ' ' PHE . 15.3 mmm -137.89 160.29 39.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.418 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 71.2 mtt180 -154.14 148.94 26.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.494 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -117.56 127.9 54.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 1.047 HG22 ' OG1' ' A' ' 104' ' ' THR . 59.2 t -120.97 130.36 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 43.0 p30 -135.02 -179.93 5.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.22 -16.77 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 16' ' ' GLU . 43.7 t -82.17 -79.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.534 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -159.48 -149.16 5.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . 1.047 ' OG1' HG22 ' A' ' 99' ' ' VAL . 1.0 OUTLIER -125.66 131.57 52.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.456 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.98 172.05 6.37 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.959 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 174.01 13.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.418 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.5 Cg_endo -75.02 137.82 22.18 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.502 1.79 . . . . 0.0 111.046 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 t -94.03 156.64 16.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.76 136.52 2.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 151.14 38.97 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.487 1.783 . . . . 0.0 111.047 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.0 p -76.92 140.82 40.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.961 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 65.3 mtt-85 -39.39 155.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 115.26 7.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.474 ' HB ' HD13 ' A' ' 29' ' ' ILE . 2.0 pp -110.3 177.01 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -128.27 127.0 41.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 110.317 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.425 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 21.9 p -84.58 146.1 27.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.431 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 33.0 mt -68.99 173.32 5.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -79.23 144.59 34.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t -79.76 159.92 26.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 89.73 -165.21 31.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.433 1.083 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 175.03 11.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.2 t -163.72 164.56 23.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 92.3 p -116.05 134.56 54.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.18 154.96 21.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 110.023 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 p -159.57 155.7 26.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.99 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.73 173.72 24.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 t -162.2 132.67 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 109.943 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -152.73 94.89 1.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.946 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.31 132.55 7.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -121.39 152.37 39.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 0.788 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 tt -95.42 120.28 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.4 t -172.29 -55.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.93 108.48 4.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.55 122.17 1.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 p -92.9 126.67 50.61 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -74.98 147.79 34.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.489 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -74.93 167.42 27.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.74 ' O ' HG21 ' A' ' 102' ' ' VAL . 74.6 mm-40 -122.4 -176.33 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.504 HD21 ' CA ' ' A' ' 103' ' ' GLY . 7.7 mt -84.99 151.06 56.82 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.2 Cg_endo -75.0 -162.45 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.54 164.7 21.66 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 118.29 5.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.66 19.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.772 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.9 p -111.46 -166.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.382 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 62.19 36.46 14.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.26 132.12 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.575 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -153.3 147.55 17.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.667 HG22 ' CG1' ' A' ' 29' ' ' ILE . 22.8 mm -101.32 116.27 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.6 p -128.07 167.64 16.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 109.969 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.9 m120 41.69 53.18 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.667 ' CG1' HG22 ' A' ' 26' ' ' ILE . 6.2 mt -70.47 100.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.42 ' H ' HG12 ' A' ' 34' ' ' VAL . . . -82.91 -165.66 37.85 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -55.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -123.21 -1.63 8.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.16 129.8 34.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.835 HG13 HD12 ' A' ' 86' ' ' LEU . 3.2 m -133.39 168.54 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.7 m -114.64 131.77 56.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -114.19 126.12 54.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -104.34 146.63 28.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -165.71 -169.77 1.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtt85 -147.58 131.8 8.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 101.47 1.47 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.52 -77.93 0.15 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 4.3 t80 -125.49 108.01 11.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -59.41 -40.2 85.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.79 34.52 3.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt 59.2 31.47 21.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 0.736 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.4 t -166.31 128.59 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.8 p -53.5 149.06 8.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 109.99 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.46 HG13 ' CH2' ' A' ' 51' ' ' TRP . 10.8 mm -75.04 136.68 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 t -83.63 -39.75 19.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.456 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -166.87 141.53 4.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.46 ' CH2' HG13 ' A' ' 48' ' ' ILE . 5.8 m95 -97.44 142.72 28.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 108.014 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.908 ' HG ' HD13 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -109.04 136.77 48.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.435 ' O ' HD12 ' A' ' 68' ' ' LEU . 46.9 t -129.61 105.02 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -101.87 159.68 15.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.607 ' HB3' HG21 ' A' ' 69' ' ' ILE . . . -148.55 164.32 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.438 ' CD ' ' NE1' ' A' ' 66' ' ' TRP . 2.0 tt0 -122.87 138.25 54.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.825 HG22 ' OH ' ' A' ' 92' ' ' TYR . 28.3 t -77.47 125.85 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.956 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.98 -95.86 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.542 1.151 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' VAL . 3.1 p -39.99 101.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.557 0.798 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 58' ' ' GLY . 78.2 t -103.09 80.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -138.74 -153.25 6.12 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -100.08 -46.65 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -37.75 -47.16 1.73 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.414 ' HG3' ' CG1' ' A' ' 59' ' ' VAL . 2.4 mm-40 -77.17 150.54 35.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 0.737 . . . . 0.0 110.339 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.36 166.83 18.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.523 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 7.0 m95 -116.59 108.46 15.98 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 67' ' ' LEU . 12.1 mt -99.37 155.49 17.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.908 HD13 ' HG ' ' A' ' 52' ' ' LEU . 13.0 tp -75.32 154.2 37.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.607 HG21 ' HB3' ' A' ' 55' ' ' ALA . 2.2 pt -135.7 -48.31 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.704 ' CB ' HG13 ' A' ' 83' ' ' VAL . 85.7 t60 -127.19 147.4 50.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.621 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.631 ' OE1' HD21 ' A' ' 68' ' ' LEU . 15.6 pt20 -156.17 123.21 5.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 29.9 tp -103.6 114.85 29.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.5 133.92 45.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 t30 68.65 83.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.67 71.03 0.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 1.05 8.17 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -127.18 38.48 4.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -110.56 79.73 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -54.75 -30.31 56.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.097 . . . . 0.0 110.269 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.9 p -143.3 174.31 10.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.1 ptp -168.35 160.35 11.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 111.051 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.532 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 13.8 tt0 -87.55 139.3 30.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.704 HG13 ' CB ' ' A' ' 70' ' ' HIS . 6.2 t -113.45 94.35 31.37 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -165.46 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 40.42 72.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.835 HD12 HG13 ' A' ' 34' ' ' VAL . 76.3 mt -122.97 149.9 43.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -86.26 117.45 68.71 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 151.52 39.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 46.5 44.03 12.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 98.0 m -147.41 139.64 24.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 41.4 m -76.57 126.38 30.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 108.259 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.825 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.9 m-85 -144.83 164.86 29.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.569 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 1.6 t -119.51 173.65 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 93' ' ' SER . 54.3 m-85 -157.1 132.37 9.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.523 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -122.47 -167.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 18.9 mmm -143.25 158.2 43.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -159.39 154.21 24.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.46 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 62.5 mt-30 -118.56 141.61 48.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.529 HG22 ' OG1' ' A' ' 104' ' ' THR . 21.6 t -128.8 126.13 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -134.18 -179.5 5.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -61.06 -13.13 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.74 HG21 ' O ' ' A' ' 16' ' ' GLU . 64.9 t -83.07 -82.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.504 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -159.11 -168.03 20.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.529 ' OG1' HG22 ' A' ' 99' ' ' VAL . 1.0 OUTLIER -108.33 115.22 29.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.733 . . . . 0.0 110.369 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.86 169.08 0.93 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.952 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 174.25 13.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 140.15 25.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.554 1.818 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.8 p -94.02 161.7 14.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -44.91 129.39 5.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.97 41.43 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.5 p -83.86 154.83 23.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -53.85 159.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.61 126.22 29.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.3 pp -117.55 164.66 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.62 113.49 22.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 42.3 p -72.55 153.78 41.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 110.364 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.406 HD12 ' HA2' ' A' ' 30' ' ' GLY . 14.1 mt -64.55 179.45 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -66.37 170.17 6.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 p -79.75 133.45 36.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.0 177.61 9.13 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 124.05 8.35 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.461 1.769 . . . . 0.0 111.014 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.86 -55.15 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.2 m 60.43 161.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.564 1.165 . . . . 0.0 111.023 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.29 100.97 13.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.98 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 p 54.08 170.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.41 -133.8 1.9 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -156.07 109.18 2.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 0.725 . . . . 0.0 109.992 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.03 171.61 14.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.16 -163.44 38.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.2 p -90.07 69.4 7.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.759 . . . . 0.0 110.388 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -119.8 164.66 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.58 104.37 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.63 108.53 4.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.17 71.1 0.91 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 p -47.27 125.52 9.23 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -74.96 147.87 34.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.484 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -75.06 164.99 32.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.885 ' O ' HG21 ' A' ' 102' ' ' VAL . 55.4 mt-10 -115.62 175.61 5.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.526 HD21 ' HA3' ' A' ' 103' ' ' GLY . 11.1 mt -76.73 154.33 83.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.3 Cg_endo -75.0 -169.72 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.556 1.819 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 42' ' ' TYR . . . -124.33 163.87 17.94 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.58 6.13 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.433 1.754 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 142.56 27.87 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.554 1.818 . . . . 0.0 110.961 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 p -118.33 -168.7 1.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 60.12 36.03 21.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 96' ' ' MET . 0.1 OUTLIER -75.39 147.53 39.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.57 135.88 2.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.523 ' CD1' ' CB ' ' A' ' 111' ' ' SER . 5.3 mp -104.33 131.38 53.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.789 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.8 p -132.99 165.6 24.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 54.26 46.13 25.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.481 HD13 ' HB ' ' A' ' 114' ' ' ILE . 49.7 mt -64.19 113.61 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.91 -160.79 36.87 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -52.75 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -129.07 13.21 6.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -145.75 142.89 29.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.967 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.738 HG13 HD12 ' A' ' 86' ' ' LEU . 1.5 m -146.38 172.36 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 26' ' ' ILE . 28.3 m -112.45 122.42 47.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.365 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.467 HD11 ' HB3' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -102.77 125.09 49.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -107.04 156.06 19.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.409 ' CE2' ' HE1' ' A' ' 96' ' ' MET . 24.1 p90 -175.53 -170.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -155.92 133.85 6.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 112.8 3.65 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.527 1.804 . . . . 0.0 111.03 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.08 -72.89 0.92 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t80 -127.72 98.41 5.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.789 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.27 -51.18 59.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.0 50.71 0.67 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt 48.41 36.17 6.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 t -172.28 138.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 m -68.97 150.74 47.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.571 HG13 ' CH2' ' A' ' 51' ' ' TRP . 4.8 mm -72.14 137.89 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.26 -31.31 23.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.029 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -170.69 140.55 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.571 ' CH2' HG13 ' A' ' 48' ' ' ILE . 14.4 m95 -97.47 130.04 44.61 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.799 ' HG ' HD13 ' A' ' 68' ' ' LEU . 2.7 tp -99.94 138.15 37.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.5 t -128.27 105.07 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.464 ' OE2' ' CZ ' ' A' ' 97' ' ' ARG . 35.5 mt-10 -98.48 172.85 7.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -166.06 162.57 17.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.544 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -121.75 144.64 48.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.925 HG22 ' OH ' ' A' ' 92' ' ' TYR . 49.3 t -79.05 129.56 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.929 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.26 -96.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' VAL . 73.6 t -40.07 115.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.929 HG23 ' O ' ' A' ' 58' ' ' GLY . 97.4 t -117.25 77.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -169.1 170.74 42.68 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -45.71 168.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.12 -46.87 2.65 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.96 154.4 21.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -95.99 160.15 14.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.544 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 8.8 m95 -110.06 120.18 41.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 107.991 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.1 mt -109.26 157.82 18.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.799 HD13 ' HG ' ' A' ' 52' ' ' LEU . 1.1 tp -74.84 149.96 39.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.512 HG21 ' HB3' ' A' ' 55' ' ' ALA . 4.3 pt -133.95 -43.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.741 ' CB ' HG13 ' A' ' 83' ' ' VAL . 69.4 t60 -135.42 144.02 46.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.598 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.623 ' HB3' HD11 ' A' ' 68' ' ' LEU . 15.9 pt20 -146.8 129.61 16.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.502 HD21 ' CB ' ' A' ' 78' ' ' ALA . 31.7 tp -104.14 106.42 16.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 m -96.08 146.26 24.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 50.46 82.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.405 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 169.74 66.58 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.24 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.46 8.89 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.66 54.77 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.502 ' CB ' HD21 ' A' ' 72' ' ' LEU . . . -127.27 99.72 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.44 ' HB2' ' NH1' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -64.7 -36.51 84.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.4 p -143.41 170.77 15.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -164.91 157.59 16.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.459 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 19.5 tt0 -85.01 138.67 32.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.741 HG13 ' CB ' ' A' ' 70' ' ' HIS . 10.9 t -113.74 94.19 31.91 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -165.49 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.804 . . . . 0.0 111.035 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.2 t70 40.41 75.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.738 HD12 HG13 ' A' ' 34' ' ' VAL . 36.7 mt -126.87 153.78 45.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -87.28 113.79 55.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.411 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.4 Cg_endo -74.98 153.25 41.73 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.8 t80 48.39 40.98 15.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.8 m -147.44 139.31 24.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 33.1 m -74.52 131.66 41.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 108.347 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.925 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.8 m-85 -151.2 163.46 38.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.549 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 4.5 t -119.58 175.5 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 93' ' ' SER . 54.7 m-85 -157.25 135.7 11.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.428 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -129.07 -176.25 3.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.439 ' HB2' HD11 ' A' ' 24' ' ' LEU . 15.2 mmm -133.86 160.31 38.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.464 ' CZ ' ' OE2' ' A' ' 54' ' ' GLU . 59.1 mtt180 -156.48 157.41 35.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.254 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.408 ' HB2' ' CG ' ' A' ' 18' ' ' PRO . 38.9 mt-30 -123.53 131.5 53.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.968 HG22 ' OG1' ' A' ' 104' ' ' THR . 90.0 t -121.35 124.11 71.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.8 p30 -132.89 -179.31 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.95 -13.41 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.885 HG21 ' O ' ' A' ' 16' ' ' GLU . 20.1 t -82.03 -71.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.526 ' HA3' HD21 ' A' ' 17' ' ' LEU . . . -166.02 -149.69 6.01 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.557 1.161 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.968 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -125.29 111.02 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 0.0 110.385 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 p -50.39 162.89 0.49 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.99 13.57 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.408 ' HB2' ' NH1' ' A' ' 95' ' ' ARG . 18.4 Cg_endo -74.96 137.54 21.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.9 t -94.26 158.75 15.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -39.81 132.47 1.44 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.17 43.0 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.523 ' CB ' ' CD1' ' A' ' 26' ' ' ILE . 80.7 p -77.17 163.8 26.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.43 ' O ' HG23 ' A' ' 114' ' ' ILE . 2.6 mtt-85 -65.63 162.41 18.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.403 ' HE2' HG11 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -65.68 116.24 6.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.481 ' HB ' HD13 ' A' ' 29' ' ' ILE . 1.3 pp -111.4 179.22 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -138.98 125.94 21.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 32.7 p -85.4 149.83 25.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 23.7 mt -71.96 176.24 5.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -84.63 141.6 30.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 t -75.62 -66.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.06 171.51 35.15 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.27 40.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.552 1.817 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 m -128.83 96.61 4.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.22 119.18 19.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.8 p -96.67 168.4 10.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -146.26 157.86 43.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.584 1.177 . . . . 0.0 109.964 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.84 -120.85 0.7 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.142 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.53 167.78 12.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -146.46 121.91 10.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' C ' ' CG2' ' A' ' 8' ' ' THR . . . -96.04 -110.76 2.59 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.413 ' CG2' ' C ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER 39.06 88.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.741 . . . . 0.0 110.404 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 pp -86.7 120.08 35.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.4 m -135.4 138.88 43.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 110.032 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.73 115.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 13' ' ' VAL . . . -44.36 108.3 0.18 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.125 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.731 HG13 ' HD2' ' A' ' 14' ' ' PRO . 59.9 t 60.97 143.73 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.731 ' HD2' HG13 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.93 148.05 35.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.468 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.1 Cg_endo -75.08 163.53 34.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.794 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 83.0 mt-10 -122.38 174.55 6.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.497 HD21 ' CA ' ' A' ' 103' ' ' GLY . 8.4 mt -76.91 151.48 82.1 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.432 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.0 Cg_endo -75.05 -161.88 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.42 167.1 21.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 120.75 6.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.777 . . . . 0.0 111.04 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 142.72 28.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.5 p -118.87 -166.15 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.413 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.28 18.11 11.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.498 HD11 ' HG3' ' A' ' 96' ' ' MET . 0.2 OUTLIER -63.69 125.75 25.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.02 150.98 23.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.559 HD13 ' HG ' ' A' ' 36' ' ' LEU . 5.0 mm -108.04 112.96 42.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.0 m -129.09 171.92 11.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 44.7 46.07 8.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.503 HG12 HD13 ' A' ' 114' ' ' ILE . 7.3 mt -60.14 116.36 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.601 ' H ' HG12 ' A' ' 34' ' ' VAL . . . -101.08 -167.27 28.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -67.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.475 1.776 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -116.17 12.99 15.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.28 130.28 11.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.734 HG13 HD12 ' A' ' 86' ' ' LEU . 2.1 m -130.71 178.75 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.4 m -118.31 110.88 18.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.408 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.579 HD11 ' CB ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -93.69 116.92 29.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -96.26 148.92 22.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.534 ' CG ' ' SD ' ' A' ' 96' ' ' MET . 5.7 p90 -166.51 -170.58 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -153.74 131.44 6.22 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 105.09 2.02 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.41 -93.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 6.0 t80 -107.13 104.72 14.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 0.804 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -54.01 -42.89 69.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.4 31.73 3.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt 63.1 28.12 15.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 t -165.87 127.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.6 p -48.95 165.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.965 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.557 HG13 ' CH2' ' A' ' 51' ' ' TRP . 5.4 mm -85.66 145.04 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 p -95.1 -41.05 9.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.477 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -164.16 143.98 7.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.557 ' CH2' HG13 ' A' ' 48' ' ' ILE . 18.3 m95 -99.17 139.78 34.32 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.887 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -111.57 129.65 56.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.7 t -121.24 104.91 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -101.43 161.51 13.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.534 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -163.6 163.72 24.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.547 ' O ' ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -121.51 160.82 23.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.27 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.832 HG22 ' OH ' ' A' ' 92' ' ' TYR . 45.8 t -97.51 132.14 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.928 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 37.71 -95.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' VAL . 73.3 t -42.57 118.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.928 HG23 ' O ' ' A' ' 58' ' ' GLY . 81.5 t -119.05 81.0 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -149.52 158.33 27.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -34.74 70.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.344 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -42.06 -35.22 1.62 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -99.94 168.64 9.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -96.21 169.08 10.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.532 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 5.4 m95 -117.38 121.98 42.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.026 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mt -109.2 151.9 25.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.887 HD13 ' HG ' ' A' ' 52' ' ' LEU . 7.4 tp -76.05 151.44 37.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.458 ' CG1' ' N ' ' A' ' 70' ' ' HIS . 1.1 pt -133.98 -49.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CB ' HG13 ' A' ' 83' ' ' VAL . 51.6 t60 -123.07 154.53 38.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.591 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.592 ' OE1' HD21 ' A' ' 68' ' ' LEU . 15.0 pt20 -162.29 125.3 2.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.262 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 73' ' ' SER . 43.2 tp -103.4 130.53 50.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.484 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.6 OUTLIER -54.9 -166.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.987 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.484 ' C ' ' O ' ' A' ' 73' ' ' SER . 1.7 m120 -34.38 -87.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' ASN . 0.1 OUTLIER 38.03 69.2 1.53 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.67 11.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -110.56 33.54 4.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.14 108.04 12.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.478 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -86.18 -25.81 25.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.0 p -143.14 159.82 41.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.436 ' HE1' ' HB2' ' A' ' 51' ' ' TRP . 4.8 ptp -155.36 157.94 37.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -86.11 138.28 32.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.567 HG13 ' CB ' ' A' ' 70' ' ' HIS . 3.8 t -114.08 93.4 30.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -165.87 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.442 1.759 . . . . 0.0 111.031 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.583 ' O ' HD23 ' A' ' 86' ' ' LEU . 51.2 m-20 44.43 66.95 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.734 HD12 HG13 ' A' ' 34' ' ' VAL . 31.5 mt -122.2 153.73 38.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.467 ' OD1' ' CZ ' ' A' ' 92' ' ' TYR . 4.1 m120 -85.78 115.45 61.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.432 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.4 Cg_endo -75.0 142.61 28.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.8 t80 56.73 42.7 26.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.7 m -147.85 141.34 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.382 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 64.3 m -74.28 128.36 35.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 108.32 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.832 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.7 m-85 -146.69 150.15 34.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.534 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -119.23 150.02 40.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.579 ' CB ' HD11 ' A' ' 36' ' ' LEU . 56.1 m-85 -134.19 157.28 46.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.532 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 5.8 ptp180 -139.45 -167.53 2.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.534 ' SD ' ' CG ' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -137.93 159.44 42.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -159.01 143.65 15.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.542 ' HG2' HD12 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -114.32 146.62 40.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.905 HG22 ' OG1' ' A' ' 104' ' ' THR . 59.3 t -136.3 130.51 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 36.3 p-10 -135.23 -178.84 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.407 ' O ' HG13 ' A' ' 101' ' ' ILE . 0.6 OUTLIER -59.38 -14.59 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.238 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 15' ' ' PRO . 96.5 t -81.97 -82.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.497 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -151.66 -158.68 8.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.905 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -118.48 101.33 8.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 0.737 . . . . 0.0 110.399 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.8 163.69 0.14 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.82 13.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.03 28.48 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 t -94.74 169.98 9.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.13 134.3 68.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 153.04 41.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.44 1.758 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.4 p -79.78 158.06 26.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.5 ptt-85 -56.04 155.54 6.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.75 120.13 13.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.503 HD13 HG12 ' A' ' 29' ' ' ILE . 1.9 pp -112.98 173.45 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -127.47 108.38 10.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.432 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 60.8 p -65.37 163.47 15.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 36.1 mt -73.56 175.16 7.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -89.06 154.09 20.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.5 t -117.1 99.24 6.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -160.69 173.48 37.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 150.11 37.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.4 t 71.85 124.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.97 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.17 117.31 8.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.054 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.09 -64.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 1' ' ' GLY . 35.2 p -120.26 164.99 15.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.17 120.6 9.75 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -156.17 124.96 5.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.26 99.28 8.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.26 -174.15 16.11 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.7 t -151.95 147.36 26.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.369 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.6 mt -114.65 -65.21 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.0 p 61.52 107.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.8 t -48.11 140.97 6.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.005 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.74 111.27 2.97 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.57 125.74 30.25 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.489 0.758 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -75.0 148.26 35.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.536 1.809 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.4 Cg_endo -74.95 171.39 18.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.733 ' O ' HG21 ' A' ' 102' ' ' VAL . 42.3 mt-10 -127.18 176.65 7.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.587 HD21 ' CA ' ' A' ' 103' ' ' GLY . 9.6 mt -76.55 153.07 83.59 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' CG ' ' HB2' ' A' ' 98' ' ' GLN . 18.3 Cg_endo -74.99 -171.91 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.495 1.787 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 42' ' ' TYR . . . -123.29 163.62 16.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 128.15 11.28 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.473 1.775 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 146.71 32.97 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.2 p -114.13 -175.61 2.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 m120 60.89 35.76 19.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.18 132.65 44.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -172.4 139.69 5.38 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.496 ' CD1' ' CB ' ' A' ' 111' ' ' SER . 4.9 mp -108.59 129.94 62.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.488 0.758 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.9 p -129.57 171.42 12.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.041 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 48.44 42.59 18.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.464 HG13 HG22 ' A' ' 26' ' ' ILE . 6.9 mt -56.38 112.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.13 -166.68 42.3 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -50.91 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -129.55 14.98 6.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.83 138.39 19.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.046 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.712 HG13 HD12 ' A' ' 86' ' ' LEU . 2.7 m -139.01 171.69 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 m -111.53 111.08 21.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.393 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 94' ' ' PHE . 3.1 tt -96.04 113.58 25.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -97.61 156.34 16.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.456 ' CG ' ' SD ' ' A' ' 96' ' ' MET . 5.4 p90 -173.41 -176.16 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.457 ' HG2' ' CD ' ' A' ' 79' ' ' ARG . 8.1 mtp180 -147.0 129.65 7.83 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 103.16 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.457 1.767 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.54 -70.41 1.05 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' GLY . 28.3 t80 -134.09 112.39 11.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.93 -44.7 79.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.17 20.55 5.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt 66.86 26.26 9.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 109.275 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.651 ' O ' HG23 ' A' ' 46' ' ' THR . 0.6 OUTLIER -151.13 24.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.397 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.53 ' O ' HD13 ' A' ' 48' ' ' ILE . 0.8 OUTLIER 42.91 -166.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.987 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.57 HG13 ' CH2' ' A' ' 51' ' ' TRP . 14.9 mm -112.84 148.0 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.9 p -101.24 -23.31 14.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.969 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.422 ' NH1' ' HG3' ' A' ' 71' ' ' GLN . 4.3 ttm-85 -171.17 144.54 2.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CH2' HG13 ' A' ' 48' ' ' ILE . 24.1 m95 -106.83 119.49 39.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 107.972 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.956 ' HG ' HD13 ' A' ' 68' ' ' LEU . 5.2 tp -98.28 143.59 28.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.449 ' O ' HD12 ' A' ' 68' ' ' LEU . 20.4 t -133.69 109.75 13.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.22 166.19 10.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.567 ' HB3' HG21 ' A' ' 69' ' ' ILE . . . -159.92 163.62 34.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CD ' ' NE1' ' A' ' 66' ' ' TRP . 2.7 mt-30 -118.57 147.99 43.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.507 HG13 ' OH ' ' A' ' 92' ' ' TYR . 37.9 t -86.84 133.03 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.928 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.35 -98.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.099 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.415 HG11 ' OE2' ' A' ' 64' ' ' GLU . 8.7 p -44.55 118.85 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 0.724 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.928 HG23 ' O ' ' A' ' 58' ' ' GLY . 68.4 t -120.72 95.86 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -179.39 171.81 43.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.553 1.158 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -51.8 173.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 0.762 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.0 -46.25 3.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' OE2' HG11 ' A' ' 59' ' ' VAL . 1.8 mm-40 -81.39 156.3 25.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -91.21 162.64 14.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.481 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 7.5 m95 -117.58 115.23 24.7 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -104.08 156.01 18.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.956 HD13 ' HG ' ' A' ' 52' ' ' LEU . 3.0 tp -74.07 157.42 36.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.567 HG21 ' HB3' ' A' ' 55' ' ' ALA . 5.5 pt -137.54 -45.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.917 ' HB2' HG13 ' A' ' 83' ' ' VAL . 54.2 t60 -132.3 133.49 44.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.595 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.497 ' CD ' HD21 ' A' ' 68' ' ' LEU . 5.5 pt20 -136.22 126.49 26.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.428 HD11 ' OE2' ' A' ' 75' ' ' GLU . 22.5 tp -107.87 131.92 53.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.475 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.6 OUTLIER -55.56 -166.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.965 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.475 ' C ' ' O ' ' A' ' 73' ' ' SER . 1.2 m120 -35.14 -83.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.428 ' OE2' HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER 36.58 67.98 1.58 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.274 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.13 9.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.517 1.799 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -116.12 48.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.69 120.2 19.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.457 ' CD ' ' HG2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -97.88 -27.68 14.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -143.19 162.85 34.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.981 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.3 ptp -164.23 159.14 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.415 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 13.4 tt0 -83.29 138.64 33.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.917 HG13 ' HB2' ' A' ' 70' ' ' HIS . 15.8 t -114.24 94.4 35.01 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -164.79 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.801 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 42.59 72.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.712 HD12 HG13 ' A' ' 34' ' ' VAL . 45.8 mt -126.36 152.82 45.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.45 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 9.9 m120 -88.35 113.4 55.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.501 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -75.0 147.93 34.6 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.461 1.769 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.0 t80 56.01 38.42 29.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.8 m -143.27 138.48 29.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.39 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.6 m -74.5 122.69 23.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 108.324 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.507 ' OH ' HG13 ' A' ' 57' ' ' VAL . 3.4 m-85 -143.65 159.95 41.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.555 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -119.62 177.78 4.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 93' ' ' SER . 53.2 m-85 -157.28 138.73 13.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.481 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 4.9 ptp180 -127.73 -168.23 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.456 ' SD ' ' CG ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -135.4 163.48 29.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -167.98 138.01 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.484 ' HB3' HD12 ' A' ' 48' ' ' ILE . 26.3 mt-30 -114.04 134.95 54.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 1.019 HG22 ' OG1' ' A' ' 104' ' ' THR . 33.3 t -120.6 128.96 76.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.145 . . . . 0.0 109.239 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.464 ' HB2' ' CG2' ' A' ' 46' ' ' THR . 32.9 p-10 -135.26 -179.7 5.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.224 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.424 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -57.79 -16.26 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.733 HG21 ' O ' ' A' ' 16' ' ' GLU . 40.6 t -81.85 -74.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.587 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -167.82 -148.67 5.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . 1.019 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -126.05 123.32 38.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 110.407 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.94 170.36 2.66 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 173.49 14.4 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.37 22.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 109' ' ' GLN . 1.7 t -93.99 156.19 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.933 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -38.6 132.81 1.04 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 156.61 43.36 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.496 ' CB ' ' CD1' ' A' ' 26' ' ' ILE . 42.5 p -75.44 166.09 24.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 114' ' ' ILE . 8.1 mtt180 -67.7 160.31 28.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.32 111.28 2.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.466 HG23 ' O ' ' A' ' 112' ' ' ARG . 1.8 pp -107.68 179.24 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -141.07 109.76 6.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 30.1 p -65.2 152.91 42.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 20.6 mt -72.52 177.27 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -85.67 155.93 20.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.3 t -102.46 -64.06 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.25 156.9 3.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 96.97 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.9 m -157.38 139.98 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.968 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 37.2 t -88.03 146.72 25.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 p -160.59 126.75 4.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.028 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.9 p -106.81 150.8 25.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.06 142.65 17.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.07 154.01 26.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 109.96 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.21 92.37 3.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.44 154.76 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 p -83.01 121.1 26.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 110.412 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.2 pt -111.08 136.69 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -127.62 124.88 39.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.07 151.51 43.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.49 166.2 13.57 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.571 1.17 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.443 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 22.9 t -129.53 139.91 37.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.77 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.443 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.04 147.76 34.22 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.802 . . . . 0.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.504 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -74.97 165.01 32.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.791 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.904 ' O ' HG21 ' A' ' 102' ' ' VAL . 26.9 mt-10 -118.58 175.62 5.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.554 HD21 ' CA ' ' A' ' 103' ' ' GLY . 10.9 mt -76.71 153.56 83.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -171.53 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -123.89 163.08 17.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 111.065 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.95 5.86 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.545 1.813 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 146.97 33.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.801 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.5 p -117.35 -166.12 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 110.377 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 m120 62.95 30.68 16.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.49 HD11 ' HG3' ' A' ' 96' ' ' MET . 0.1 OUTLIER -73.92 136.71 43.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -160.36 142.31 8.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.543 HG22 HD11 ' A' ' 29' ' ' ILE . 10.2 mm -103.59 109.14 26.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.4 p -127.05 168.67 14.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 50.2 50.26 18.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.616 HD13 HD13 ' A' ' 114' ' ' ILE . 64.1 mt -73.4 110.06 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.04 -154.23 30.97 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -69.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -117.45 18.97 14.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.433 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 1.4 m -148.26 146.41 28.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.755 HG13 HD12 ' A' ' 86' ' ' LEU . 1.5 m -151.16 156.76 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.1 m -97.15 127.79 43.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.578 HD11 ' HB3' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -108.12 121.07 44.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -105.41 144.59 31.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.595 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 4.2 p90 -165.53 -172.52 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -148.26 130.33 7.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 112.21 3.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.811 . . . . 0.0 111.046 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.67 -81.95 0.25 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -119.34 108.51 14.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -52.88 63.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.03 36.69 1.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt 56.28 32.39 20.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 46' ' ' THR . 15.2 t -173.18 113.35 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.7 p -41.17 158.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.545 HG13 ' CH2' ' A' ' 51' ' ' TRP . 10.4 mm -81.9 146.65 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.8 m -92.26 -33.31 14.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.963 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.562 ' NH1' HD13 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -170.45 138.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.545 ' CH2' HG13 ' A' ' 48' ' ' ILE . 12.8 m95 -93.04 136.92 32.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 107.979 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.832 ' HG ' HD13 ' A' ' 68' ' ' LEU . 2.7 tp -103.06 148.0 26.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.6 t -137.78 106.41 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -101.46 163.82 12.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.575 ' HB3' HG21 ' A' ' 69' ' ' ILE . . . -158.76 164.88 35.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.574 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -126.25 130.55 51.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 59' ' ' VAL . 48.6 t -67.95 132.79 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.741 ' O ' HG12 ' A' ' 60' ' ' VAL . . . 36.55 -96.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 59' ' ' VAL . 7.3 p -44.98 105.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.979 HG21 ' HB2' ' A' ' 93' ' ' SER . 2.8 p -141.56 99.86 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 139.58 67.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.108 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 175.32 -169.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.25 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.42 53.55 1.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -106.29 177.29 4.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -107.22 158.06 17.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.574 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 6.9 m95 -123.03 136.2 54.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 107.984 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 66' ' ' TRP . 17.3 mt -120.17 160.62 22.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.832 HD13 ' HG ' ' A' ' 52' ' ' LEU . 1.6 tp -75.22 151.35 38.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.63 HD11 HG11 ' A' ' 83' ' ' VAL . 5.4 pt -134.11 -44.32 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.53 ' HB2' HG13 ' A' ' 83' ' ' VAL . 16.7 t60 -139.25 148.35 42.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.578 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.78 ' NE2' HD21 ' A' ' 68' ' ' LEU . 5.2 pt20 -147.33 134.66 20.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.461 HD11 ' CD ' ' A' ' 75' ' ' GLU . 51.6 tp -105.01 105.2 15.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.0 m -95.1 152.32 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.025 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.3 t30 45.04 75.56 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.461 ' CD ' HD11 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 177.0 64.96 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -10.5 21.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -102.34 39.84 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.435 ' CB ' HD21 ' A' ' 72' ' ' LEU . . . -117.75 115.12 24.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.505 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 1.7 tpt180 -87.0 -31.05 20.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.4 p -143.07 161.97 36.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.4 ptp -159.95 159.7 32.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -89.67 141.99 28.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.36 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.63 HG11 HD11 ' A' ' 69' ' ' ILE . 11.3 t -115.54 93.8 37.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -162.85 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.0 t70 45.09 63.46 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.755 HD12 HG13 ' A' ' 34' ' ' VAL . 21.1 mt -119.18 146.07 45.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.424 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 3.5 m-80 -85.99 121.31 72.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.434 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.2 Cg_endo -75.03 157.52 42.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.1 t80 47.75 41.61 14.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.2 m -147.58 134.74 20.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.406 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 55.9 m -74.38 119.83 19.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 87' ' ' ASN . 2.5 m-85 -133.81 158.39 43.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.979 ' HB2' HG21 ' A' ' 60' ' ' VAL . 6.5 t -119.22 172.46 7.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.952 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.578 ' HB3' HD11 ' A' ' 36' ' ' LEU . 56.8 m-85 -157.02 139.99 15.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.37 -167.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.595 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -136.67 162.24 33.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 96' ' ' MET . 12.1 mtt180 -168.15 147.53 4.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.246 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.412 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 72.7 mt-30 -113.85 142.86 45.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.953 HG22 ' OG1' ' A' ' 104' ' ' THR . 43.7 t -129.33 118.96 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.7 p30 -129.55 179.75 5.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.419 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.4 OUTLIER -59.39 -14.98 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.904 HG21 ' O ' ' A' ' 16' ' ' GLU . 21.3 t -80.92 -66.14 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.554 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -177.82 -156.27 16.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.953 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -120.72 112.9 19.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 110.43 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.42 171.87 0.2 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.986 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.34 12.95 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.528 1.804 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.87 17.06 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 t -93.89 154.69 17.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.047 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.61 126.65 1.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.534 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 18.2 Cg_endo -75.03 155.68 42.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.9 p -75.11 143.78 43.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -47.86 175.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -78.08 134.74 37.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.373 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.616 HD13 HD13 ' A' ' 29' ' ' ILE . 1.8 pp -131.49 179.69 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -131.55 123.91 28.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.434 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 41.4 p -83.73 149.94 26.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 48.6 mt -69.44 171.96 7.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.95 172.43 7.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.29 97.89 7.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 153.01 159.2 8.93 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.488 1.117 . . . . 0.0 111.046 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 144.51 30.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 t -148.22 104.68 3.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.2 t -75.06 144.09 43.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 41.96 87.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.69 141.97 2.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 109.979 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.14 103.09 2.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.441 1.088 . . . . 0.0 111.038 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.4 t -157.42 84.08 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.55 147.5 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.44 144.05 3.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.3 p -117.77 -51.7 2.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 0.78 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.9 mt -118.53 92.39 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.3 t -75.63 128.36 35.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.012 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.57 78.84 9.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.007 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.1 -157.54 14.88 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.23 128.62 21.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.1 Cg_endo -75.0 147.88 34.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.81 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.489 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.03 164.72 32.73 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.477 1.777 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.916 ' O ' HG21 ' A' ' 102' ' ' VAL . 84.8 mt-10 -116.3 175.0 5.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.539 HD21 ' HA3' ' A' ' 103' ' ' GLY . 11.5 mt -76.94 153.63 82.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.2 Cg_endo -75.03 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.14 167.72 24.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 119.54 5.68 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.27 26.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.0 p -117.42 -167.57 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.379 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.0 m120 59.91 26.07 15.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.816 HD11 ' HB2' ' A' ' 96' ' ' MET . 0.1 OUTLIER -65.89 144.19 56.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -176.89 133.7 2.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.496 ' CD1' ' CB ' ' A' ' 111' ' ' SER . 4.9 mp -103.2 132.15 50.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.7 m -125.61 170.3 11.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 42.56 54.26 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.728 HD13 HD13 ' A' ' 114' ' ' ILE . 44.3 mt -64.42 108.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 33' ' ' SER . . . -83.0 -172.54 48.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -52.16 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -120.36 10.32 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.18 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.46 ' O ' ' CA ' ' A' ' 30' ' ' GLY . 4.8 m -150.91 151.3 31.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.712 HG13 HD12 ' A' ' 86' ' ' LEU . 2.9 m -148.5 164.27 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.6 m -103.69 107.19 17.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.4 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' HG ' ' CG1' ' A' ' 26' ' ' ILE . 0.6 OUTLIER -91.3 120.91 32.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -106.57 149.71 26.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.661 ' CD2' ' HE2' ' A' ' 96' ' ' MET . 8.4 p90 -163.1 -173.51 3.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -152.83 133.99 8.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 103.69 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.78 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.83 -61.09 5.19 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.509 1.13 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 1.6 t80 -140.45 92.23 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.552 ' HA ' HD11 ' A' ' 48' ' ' ILE . 7.2 m-20 -51.63 -64.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.92 42.6 0.18 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt 47.22 27.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 0.728 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 47' ' ' SER . 6.8 t -155.19 23.43 0.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.463 ' O ' HD13 ' A' ' 48' ' ' ILE . 7.4 t 43.59 -166.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.552 HD11 ' HA ' ' A' ' 43' ' ' ASP . 29.0 mm -114.54 147.31 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.84 -38.82 8.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.467 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -152.32 143.89 23.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.476 ' CH2' HG13 ' A' ' 48' ' ' ILE . 21.4 m95 -103.32 140.41 37.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 107.989 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.982 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -110.49 133.89 52.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.7 t -128.54 104.67 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.461 ' HB2' ' CG ' ' A' ' 95' ' ' ARG . 5.2 mt-10 -98.58 166.07 11.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.622 ' HB3' HG21 ' A' ' 69' ' ' ILE . . . -156.9 154.29 29.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.412 ' OE1' ' O ' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -118.19 143.8 46.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.832 HG13 ' OH ' ' A' ' 92' ' ' TYR . 28.9 t -86.72 130.96 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.536 ' O ' HG12 ' A' ' 60' ' ' VAL . . . 35.19 -98.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.412 ' O ' ' OE1' ' A' ' 56' ' ' GLN . 3.6 p -45.34 96.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.784 HG21 ' HB2' ' A' ' 93' ' ' SER . 5.5 p -128.52 107.88 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -162.03 -133.33 1.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -117.86 104.29 10.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 149.97 -19.97 1.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -99.86 163.95 12.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 110.276 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.626 ' HG3' HD23 ' A' ' 67' ' ' LEU . 9.5 pt-20 -86.08 166.67 15.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.611 ' CG ' ' CZ ' ' A' ' 95' ' ' ARG . 6.6 m95 -127.48 99.69 5.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.062 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.626 HD23 ' HG3' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -87.17 154.72 20.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.982 HD13 ' HG ' ' A' ' 52' ' ' LEU . 9.7 tp -76.54 154.5 34.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.622 HG21 ' HB3' ' A' ' 55' ' ' ALA . 0.9 OUTLIER -135.44 -48.69 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.619 ' CB ' HG13 ' A' ' 83' ' ' VAL . 67.7 t60 -126.47 138.29 53.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.553 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.595 ' OE1' HD21 ' A' ' 68' ' ' LEU . 18.3 pt20 -145.61 123.41 11.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 48.4 tp -104.29 117.74 34.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -99.81 156.63 17.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 49.4 t-20 43.55 91.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.436 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER 165.19 69.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -25.02 12.17 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.434 1.755 . . . . 0.0 110.983 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.92 -33.9 59.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.405 ' HB2' ' CD ' ' A' ' 75' ' ' GLU . . . -44.91 125.43 5.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -106.8 -24.87 11.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.4 p -143.33 159.85 41.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -160.96 160.02 30.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -90.87 144.86 25.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.619 HG13 ' CB ' ' A' ' 70' ' ' HIS . 4.3 t -118.86 94.03 47.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -167.52 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.789 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 47.78 69.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.712 HD12 HG13 ' A' ' 34' ' ' VAL . 38.3 mt -127.17 145.44 50.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -86.98 113.64 54.48 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.455 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -74.98 147.35 33.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.9 t80 62.47 39.54 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 52.5 m -147.78 139.37 23.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 60.6 m -75.14 116.91 16.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 108.297 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.832 ' OH ' HG13 ' A' ' 57' ' ' VAL . 3.0 m-85 -136.23 153.99 51.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.784 ' HB2' HG21 ' A' ' 60' ' ' VAL . 1.3 t -119.55 165.19 14.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.412 ' HA ' ' O ' ' A' ' 54' ' ' GLU . 63.5 m-85 -142.72 152.02 41.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.611 ' CZ ' ' CG ' ' A' ' 66' ' ' TRP . 7.9 ptp180 -144.63 143.26 30.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.816 ' HB2' HD11 ' A' ' 24' ' ' LEU . 18.9 mmm -99.05 159.23 15.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -151.35 172.25 16.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.451 ' HB3' HD12 ' A' ' 48' ' ' ILE . 30.0 mt-30 -137.68 133.74 34.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.862 HG22 ' OG1' ' A' ' 104' ' ' THR . 93.0 t -125.85 130.23 72.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.0 p30 -135.54 -179.16 5.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -13.23 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.916 HG21 ' O ' ' A' ' 16' ' ' GLU . 15.5 t -80.82 -72.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.539 ' HA3' HD21 ' A' ' 17' ' ' LEU . . . -161.91 -151.13 6.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.862 ' OG1' HG22 ' A' ' 99' ' ' VAL . 1.1 m -128.76 100.98 5.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 0.738 . . . . 0.0 110.413 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.403 ' OG ' ' HG2' ' A' ' 18' ' ' PRO . 1.4 p -42.44 163.4 0.14 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.985 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.16 13.26 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.555 1.818 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.83 27.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.8 p -94.4 172.59 8.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.64 141.18 84.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 153.17 41.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.496 ' CB ' ' CD1' ' A' ' 26' ' ' ILE . 97.0 p -75.38 165.71 24.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.033 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -59.3 149.73 28.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.93 114.46 4.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.728 HD13 HD13 ' A' ' 29' ' ' ILE . 2.0 pp -117.22 163.65 14.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -119.83 108.7 14.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 9.1 p -57.46 145.7 32.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 53.8 mt -57.99 173.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -88.63 142.62 27.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.7 t -116.18 108.29 15.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -142.2 157.68 26.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -46.04 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.2 m 64.29 89.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.0 t -66.32 158.14 29.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.975 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 111.045 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 147.53 33.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.474 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.03 164.98 32.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.812 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.651 ' O ' HG21 ' A' ' 102' ' ' VAL . 57.8 mt-10 -117.18 173.6 6.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.253 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.523 HD21 ' CA ' ' A' ' 103' ' ' GLY . 11.3 mt -78.23 154.63 79.68 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.2 Cg_endo -74.92 -161.97 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.23 171.01 20.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.538 1.149 . . . . 0.0 111.035 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 117.52 4.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 141.81 27.17 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.498 1.789 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.2 p -120.22 -166.34 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.2 t30 66.64 30.29 8.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.46 138.06 42.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.58 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -149.54 154.51 25.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.603 HG22 HD11 ' A' ' 29' ' ' ILE . 6.4 mm -118.54 105.42 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.773 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.3 t -130.56 172.68 11.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 48.04 44.03 18.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.603 HD11 HG22 ' A' ' 26' ' ' ILE . 43.3 mt -70.25 106.49 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.377 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.39 -155.07 31.34 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.421 1.076 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -127.44 22.97 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.6 138.02 17.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.714 HG13 HD12 ' A' ' 86' ' ' LEU . 1.3 m -146.83 156.27 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 m -98.11 119.31 36.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.436 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.592 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -105.92 114.77 29.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -89.98 158.4 17.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.405 ' CZ ' ' O ' ' A' ' 78' ' ' ALA . 52.7 p90 -172.29 179.1 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.82 133.4 10.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.3 2.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.7 -77.92 0.35 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.45 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 3.1 t80 -122.57 106.51 11.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 0.757 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.44 -51.74 68.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.15 48.67 0.81 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt 53.67 32.01 13.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -174.16 137.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.411 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.3 p -63.89 164.79 9.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.49 HG13 ' CH2' ' A' ' 51' ' ' TRP . 5.0 mm -81.75 141.96 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.37 -29.38 15.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.946 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.458 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -170.62 141.91 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.49 ' CH2' HG13 ' A' ' 48' ' ' ILE . 8.2 m95 -100.65 139.06 36.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 107.966 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.921 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -107.8 129.53 55.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.2 t -122.38 105.0 15.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 94' ' ' PHE . 57.4 mt-10 -97.97 172.01 7.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -164.35 158.01 18.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.44 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -115.7 162.08 17.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.671 HG22 ' OH ' ' A' ' 92' ' ' TYR . 59.8 t -98.74 134.28 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.868 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.23 -96.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 57' ' ' VAL . 1.5 p -45.47 118.87 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 58' ' ' GLY . 96.3 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.44 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 7.6 m95 -116.71 120.18 37.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 107.968 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.2 mt -110.2 157.75 19.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.921 HD13 ' HG ' ' A' ' 52' ' ' LEU . 1.2 tp -73.05 150.4 42.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.435 HD13 ' CB ' ' A' ' 55' ' ' ALA . 1.8 pt -136.06 -44.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CB ' HG13 ' A' ' 83' ' ' VAL . 79.5 t60 -131.73 140.0 49.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.592 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.653 ' HB3' HD11 ' A' ' 68' ' ' LEU . 14.6 pt20 -147.44 126.45 12.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.453 HD21 ' HB3' ' A' ' 75' ' ' GLU . 38.9 tp -103.84 109.17 20.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.81 145.77 27.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.0 t30 55.24 74.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.453 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 176.11 65.23 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.32 9.83 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.67 49.49 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.405 ' O ' ' CZ ' ' A' ' 38' ' ' PHE . . . -127.79 95.79 4.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.1 -34.89 77.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.1 t -143.47 169.01 18.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.953 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.8 ptp -162.94 160.32 24.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.961 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.45 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 20.1 tt0 -87.18 143.42 27.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.582 HG12 HD21 ' A' ' 86' ' ' LEU . 11.3 t -114.23 93.68 31.97 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -172.56 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.487 ' O ' HD23 ' A' ' 86' ' ' LEU . 4.0 m-20 48.78 67.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.714 HD12 HG13 ' A' ' 34' ' ' VAL . 39.8 mt -119.5 150.43 40.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -87.49 115.78 63.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.419 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.2 Cg_endo -75.04 155.09 42.73 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.3 t80 48.83 41.48 18.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.7 m -147.59 135.08 20.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 57.3 m -75.14 116.0 15.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.671 ' OH ' HG22 ' A' ' 57' ' ' VAL . 3.1 m-85 -135.81 161.83 34.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.47 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 15.4 t -119.52 173.37 7.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.031 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.464 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 86.5 m-85 -153.88 144.59 22.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.404 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -133.23 -169.04 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.354 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 14.6 mmm -140.57 160.03 40.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.404 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 33.5 mtt180 -157.59 149.46 22.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -114.76 140.64 48.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.921 HG22 ' OG1' ' A' ' 104' ' ' THR . 21.5 t -130.41 128.11 63.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -135.57 179.55 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.438 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -55.93 -17.62 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.447 1.092 . . . . 0.0 109.234 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.651 HG21 ' O ' ' A' ' 16' ' ' GLU . 93.1 t -78.56 -71.44 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.523 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -175.73 -165.39 31.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.921 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -105.94 125.35 50.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.388 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.41 ' CB ' ' CD ' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -69.42 172.95 4.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.002 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 105' ' ' SER . 18.4 Cg_endo -74.99 173.83 13.83 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.402 ' HB2' ' NH1' ' A' ' 95' ' ' ARG . 18.4 Cg_endo -75.01 139.47 24.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 t -94.27 157.09 16.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.13 132.99 1.93 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 155.83 43.15 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.413 ' HB2' ' CG1' ' A' ' 26' ' ' ILE . 14.2 p -79.08 164.87 23.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.98 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -61.85 163.31 7.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -74.21 134.75 42.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 pp -133.96 178.39 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -129.89 118.15 21.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.419 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 23.5 p -73.73 143.44 46.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.426 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 60.2 mt -60.67 171.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.289 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.2 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -75.03 147.78 34.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.503 ' HB2' HG23 ' A' ' 102' ' ' VAL . 18.4 Cg_endo -74.98 164.22 33.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.472 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 55.0 mt-10 -123.52 175.0 7.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.519 HD21 ' CA ' ' A' ' 103' ' ' GLY . 8.1 mt -79.46 150.94 74.27 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.5 Cg_endo -74.93 -161.49 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.52 169.66 22.24 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.138 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 117.93 5.08 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.547 1.814 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.5 20.5 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.9 p -109.96 -165.77 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.443 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 61.62 31.45 18.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.52 123.84 22.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.57 160.67 23.19 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 1.059 ' CG2' HD11 ' A' ' 29' ' ' ILE . 3.2 mm -132.12 110.83 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.68 169.43 17.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 52.77 52.2 14.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.059 HD11 ' CG2' ' A' ' 26' ' ' ILE . 11.7 mm -74.71 99.57 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.51 -163.3 34.62 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -53.52 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.555 1.818 . . . . 0.0 111.026 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -128.65 18.18 6.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.35 135.95 16.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.835 ' HB ' HD13 ' A' ' 29' ' ' ILE . 2.1 m -142.63 154.77 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.2 m -93.54 134.58 35.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.678 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -118.61 121.25 39.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -105.4 141.43 36.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.579 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 3.2 p90 -158.47 -170.92 3.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -150.54 131.66 7.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 100.01 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.45 -74.34 0.36 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 4.3 t80 -125.91 100.18 6.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 111.035 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.02 -42.05 62.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.07 31.18 4.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.137 . . . . 0.0 110.976 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt 65.46 32.32 9.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 109.323 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.4 t -174.38 123.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.374 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 p -49.32 155.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.562 HG13 ' CH2' ' A' ' 51' ' ' TRP . 8.0 mm -74.77 139.6 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.11 -32.78 18.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -165.2 137.4 4.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.562 ' CH2' HG13 ' A' ' 48' ' ' ILE . 18.4 m95 -98.48 125.36 43.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 108.024 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.957 ' HG ' HD13 ' A' ' 68' ' ' LEU . 3.6 tp -96.81 144.78 26.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.7 t -134.55 106.11 7.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -101.07 160.14 14.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -157.07 160.16 38.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.521 ' OE1' HG13 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -120.1 138.7 53.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.854 HG22 ' OH ' ' A' ' 92' ' ' TYR . 32.6 t -76.68 134.6 28.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.905 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.98 -96.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.521 HG13 ' OE1' ' A' ' 56' ' ' GLN . 9.9 p -41.81 122.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 58' ' ' GLY . 97.2 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.592 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 5.8 m95 -114.48 134.69 54.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 108.019 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 66' ' ' TRP . 17.5 mt -118.17 161.07 20.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.957 HD13 ' HG ' ' A' ' 52' ' ' LEU . 2.9 tp -77.65 153.72 32.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.54 HD11 HG11 ' A' ' 83' ' ' VAL . 4.5 pt -135.09 -45.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.416 ' N ' HG13 ' A' ' 69' ' ' ILE . 68.3 t60 -133.8 134.67 43.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.622 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.49 ' HB3' HD11 ' A' ' 68' ' ' LEU . 18.8 pt20 -137.62 122.74 19.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 22.7 tp -103.98 113.17 26.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -100.68 160.84 14.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 73' ' ' SER . 0.8 OUTLIER 38.35 81.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.44 66.01 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.86 8.39 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -115.17 49.38 1.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -128.51 88.03 2.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.471 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 17.4 mmm-85 -61.85 -30.59 70.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.5 p -143.45 167.55 21.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.3 ptp -166.55 160.48 15.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -85.43 141.74 29.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.54 HG11 HD11 ' A' ' 69' ' ' ILE . 13.6 t -114.05 93.66 31.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.413 ' HD2' ' ND1' ' A' ' 70' ' ' HIS . 18.3 Cg_endo -75.03 -173.5 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.554 1.818 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 t0 50.25 67.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.744 HD12 HG13 ' A' ' 34' ' ' VAL . 45.3 mt -122.38 146.82 46.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.563 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 3.1 m-80 -86.19 117.9 69.48 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.4 ' HA ' ' CB ' ' A' ' 116' ' ' THR . 18.2 Cg_endo -75.01 154.68 42.61 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 t80 48.34 42.96 18.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 110.98 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 94.8 m -147.35 137.78 23.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 61.5 m -74.67 117.83 16.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.854 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.2 m-85 -136.25 157.42 46.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.539 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 4.1 t -119.28 172.95 7.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.41 ' CG ' ' C ' ' A' ' 93' ' ' SER . 52.5 m-85 -156.62 141.26 16.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.592 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 8.7 ptp180 -126.72 -167.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.579 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -136.73 163.14 31.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -166.39 143.59 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 104' ' ' THR . 48.1 mt-30 -114.3 149.91 35.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.933 HG22 ' OG1' ' A' ' 104' ' ' THR . 18.9 t -135.82 126.47 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 38.2 p30 -132.17 179.78 5.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.459 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.7 OUTLIER -56.3 -17.95 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.503 HG23 ' HB2' ' A' ' 15' ' ' PRO . 93.3 t -80.86 -75.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.519 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -168.03 -152.45 7.59 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.933 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -118.9 125.99 50.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 0.0 110.406 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.35 172.18 0.64 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 169.35 22.77 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.408 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.0 Cg_endo -75.02 136.56 20.51 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.449 ' OG ' ' N ' ' A' ' 109' ' ' GLN . 3.7 t -93.91 178.11 5.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.449 ' N ' ' OG ' ' A' ' 108' ' ' SER . 0.6 OUTLIER -73.82 148.31 87.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 152.64 40.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.803 . . . . 0.0 111.04 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.2 p -81.15 154.39 26.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.046 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -38.63 145.3 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 137.5 58.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.856 HD13 HD12 ' A' ' 29' ' ' ILE . 2.7 pp -127.45 -174.95 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -145.08 108.28 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.4 ' CB ' ' HA ' ' A' ' 88' ' ' PRO . 11.0 p -60.78 152.05 28.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.422 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 58.4 mt -66.72 179.19 1.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -75.0 147.78 34.38 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.46 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -75.08 158.75 41.72 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.452 ' O ' HG21 ' A' ' 102' ' ' VAL . 48.2 mt-10 -111.51 -177.51 3.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 17' ' ' LEU . 6.9 mt -85.52 152.35 57.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.3 Cg_endo -75.01 -165.39 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.45 169.41 23.77 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.16 5.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 155.15 42.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.7 p -124.67 -166.93 1.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 60.8 30.52 19.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD11 ' HB2' ' A' ' 96' ' ' MET . 0.2 OUTLIER -69.76 130.01 41.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.27 146.47 12.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 mp -115.89 129.91 71.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.0 p -129.86 164.41 24.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 50.62 51.67 16.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.38 107.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.01 -171.35 47.75 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -48.1 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.431 1.753 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -128.61 13.82 6.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.402 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -152.82 147.41 26.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.652 HG13 HD12 ' A' ' 86' ' ' LEU . 1.1 m -148.83 162.68 5.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.245 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.6 m -100.21 110.28 22.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.442 ' CD1' ' HB3' ' A' ' 94' ' ' PHE . 2.9 tt -94.98 111.33 23.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -94.03 156.4 16.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.09 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.586 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 23.0 p90 -169.74 -171.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -157.99 134.64 6.51 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 112.44 3.56 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.45 -70.76 1.22 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.453 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 2.0 t80 -125.39 89.44 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 111.04 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -48.62 -53.44 18.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.25 44.03 0.88 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt 56.68 34.71 25.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -173.86 139.55 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.396 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -68.17 162.61 24.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.569 HG13 ' CH2' ' A' ' 51' ' ' TRP . 6.3 mm -81.58 137.12 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 m -87.64 -29.5 21.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.465 ' NH1' HD13 ' A' ' 52' ' ' LEU . 1.2 tmm_? -165.85 136.71 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CH2' HG13 ' A' ' 48' ' ' ILE . 24.9 m95 -97.76 132.19 43.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.906 ' HG ' HD13 ' A' ' 68' ' ' LEU . 2.9 tp -102.28 144.14 31.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.6 t -135.06 105.93 6.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -102.37 162.43 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -159.85 165.1 32.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -125.14 143.24 51.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.678 HG22 ' OH ' ' A' ' 92' ' ' TYR . 42.9 t -79.07 130.25 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.576 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.57 -97.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' VAL . 99.5 t -42.95 97.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 0.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 58' ' ' GLY . 50.6 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.588 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 11.6 m95 -112.6 119.93 39.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 mt -109.18 157.51 18.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.906 HD13 ' HG ' ' A' ' 52' ' ' LEU . 2.4 tp -75.15 146.78 41.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.596 HD11 HG11 ' A' ' 83' ' ' VAL . 4.3 pt -126.93 -43.47 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.816 ' HB2' HG13 ' A' ' 83' ' ' VAL . 12.3 t60 -139.06 137.77 36.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.58 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.652 ' HB3' HD11 ' A' ' 68' ' ' LEU . 21.1 pt20 -140.43 128.01 21.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 48.2 tp -103.8 130.49 51.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.0 m -121.19 140.59 51.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.435 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 35.1 t30 64.79 78.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.1 OUTLIER 165.3 69.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.72 20.05 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -81.9 -29.46 32.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.53 115.31 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.413 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 1.5 mpp_? -91.78 -27.44 18.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.443 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 3.5 m -143.25 162.17 36.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.964 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -162.7 157.61 21.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -85.09 140.02 31.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.816 HG13 ' HB2' ' A' ' 70' ' ' HIS . 21.4 t -113.89 94.4 33.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.523 ' HD2' ' CE1' ' A' ' 70' ' ' HIS . 18.2 Cg_endo -75.01 -169.05 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.446 1.761 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 51.04 69.37 0.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.652 HD12 HG13 ' A' ' 34' ' ' VAL . 63.9 mt -127.54 149.49 50.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -87.04 117.77 69.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.442 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.1 Cg_endo -75.01 150.84 38.71 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.8 t80 55.41 41.61 30.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 87.6 m -147.57 138.07 23.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 55.2 m -75.28 125.68 29.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.289 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.678 ' OH ' HG22 ' A' ' 57' ' ' VAL . 2.6 m-85 -143.38 158.81 43.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.582 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 1.7 t -119.5 174.05 6.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.456 ' CD1' ' O ' ' A' ' 93' ' ' SER . 49.8 m-85 -157.1 141.26 16.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.588 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 5.4 ptp180 -126.52 -167.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.586 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -138.5 163.07 32.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -165.89 148.67 7.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 104' ' ' THR . 32.9 mt-30 -118.58 143.25 46.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.509 HG22 ' OG1' ' A' ' 104' ' ' THR . 5.2 t -127.44 124.84 64.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 103' ' ' GLY . 45.1 p-10 -133.09 161.85 33.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.408 ' O ' HG13 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -40.53 -33.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 15' ' ' PRO . 29.2 t -65.58 -74.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.403 ' O ' ' OD1' ' A' ' 100' ' ' ASN . . . -163.49 -143.1 3.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.509 ' OG1' HG22 ' A' ' 99' ' ' VAL . 1.0 OUTLIER -131.78 132.57 43.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 110.392 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.81 169.1 2.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 168.21 25.32 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 133.42 16.55 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.0 t -94.41 165.83 12.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.949 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -59.78 157.11 30.57 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 158.62 41.8 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.5 1.79 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.2 p -82.67 167.12 18.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.023 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 114' ' ' ILE . 10.3 mmt180 -52.17 143.52 14.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 124.1 19.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.45 HG23 ' O ' ' A' ' 112' ' ' ARG . 2.4 pp -122.78 176.23 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -140.39 109.0 5.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.32 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.442 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 73.9 p -58.21 158.55 6.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.464 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 63.8 mt -76.54 -172.81 2.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.449 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 40.4 t . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.449 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.04 147.58 33.98 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.507 1.793 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.492 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.0 168.71 24.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.572 ' C ' HG21 ' A' ' 102' ' ' VAL . 44.0 mt-10 -130.5 173.86 10.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.538 HD21 ' CA ' ' A' ' 103' ' ' GLY . 9.0 mt -76.79 151.78 82.51 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -161.16 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.52 165.81 23.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 118.61 5.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.75 35.71 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.546 1.814 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.1 p -120.55 -166.05 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 m120 61.9 30.55 18.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.03 129.07 37.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.03 152.47 23.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.567 HD13 ' HG ' ' A' ' 36' ' ' LEU . 5.1 mm -104.04 132.42 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.1 m -138.21 164.58 28.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.964 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 41.08 59.1 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.456 HG12 HD13 ' A' ' 114' ' ' ILE . 6.0 mt -70.12 100.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.37 -166.93 37.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.449 1.763 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -123.6 3.7 8.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.94 144.47 35.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.705 HG13 HD12 ' A' ' 86' ' ' LEU . 1.5 m -144.5 175.55 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.4 m -113.98 123.56 50.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.384 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.567 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -107.25 121.21 44.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.363 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -104.51 148.58 26.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.475 ' CG ' ' SD ' ' A' ' 96' ' ' MET . 4.2 p90 -167.07 -171.51 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -151.03 129.42 6.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 103.7 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.788 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.79 -78.05 0.16 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.5 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 22.1 t80 -123.34 107.98 12.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.48 -46.16 89.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.5 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 108.92 26.84 5.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.441 1.088 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt 65.34 34.6 8.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 46' ' ' THR . 11.6 t -169.81 115.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.4 m -46.05 149.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.567 HG13 ' CH2' ' A' ' 51' ' ' TRP . 6.3 mm -71.65 137.87 22.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.65 -33.16 25.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.525 ' NE ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -167.82 139.88 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.567 ' CH2' HG13 ' A' ' 48' ' ' ILE . 29.0 m95 -97.44 129.08 44.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 107.991 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.897 ' HG ' HD13 ' A' ' 68' ' ' LEU . 2.5 tp -98.69 145.03 27.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 70' ' ' HIS . 12.6 t -137.49 105.58 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.407 ' OE1' ' NH2' ' A' ' 97' ' ' ARG . 56.9 mt-10 -98.26 171.07 8.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.536 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -166.5 164.04 17.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.6 ' O ' ' CD2' ' A' ' 92' ' ' TYR . 4.7 mt-30 -122.82 161.61 23.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.805 HG22 ' OH ' ' A' ' 92' ' ' TYR . 45.6 t -98.68 129.67 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.839 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 37.15 -98.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 57' ' ' VAL . 79.2 t -42.98 107.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 58' ' ' GLY . 93.1 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 2.2 pt-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.408 ' O ' HD23 ' A' ' 67' ' ' LEU . 24.1 m95 -123.56 107.45 11.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.019 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 66' ' ' TRP . 11.8 mt -112.0 161.54 16.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.244 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.897 HD13 ' HG ' ' A' ' 52' ' ' LEU . 1.8 tp -74.05 151.6 40.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.505 HD13 ' CB ' ' A' ' 55' ' ' ALA . 3.7 pt -134.7 -44.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CE1' ' HD2' ' A' ' 84' ' ' PRO . 12.0 t60 -136.24 141.8 43.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.643 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.537 ' HB3' HD11 ' A' ' 68' ' ' LEU . 14.6 pt20 -144.47 134.93 24.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.285 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 75' ' ' GLU . 33.1 tp -106.57 112.85 26.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.96 149.67 22.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 110.034 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 45.78 84.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.461 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 170.31 66.35 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -1.11 10.79 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -115.39 52.04 0.9 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.53 94.13 3.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.15 -29.86 68.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.9 p -143.38 161.46 38.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.7 ptp -160.92 157.15 26.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -84.85 138.09 32.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.51 HG13 ' CB ' ' A' ' 70' ' ' HIS . 11.9 t -114.24 93.49 31.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.572 ' HD2' ' CE1' ' A' ' 70' ' ' HIS . 18.3 Cg_endo -74.99 -162.8 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 40.6 73.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.705 HD12 HG13 ' A' ' 34' ' ' VAL . 59.6 mt -126.57 155.33 42.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -87.17 119.43 70.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 159.36 41.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CD1' ' HG2' ' A' ' 118' ' ' GLN . 0.2 OUTLIER 38.91 44.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.3 m -146.1 134.01 21.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.43 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 59.6 m -74.59 115.83 14.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 108.297 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.805 ' OH ' HG22 ' A' ' 57' ' ' VAL . 2.2 m-85 -134.77 156.5 48.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.536 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 2.2 t -119.39 166.93 12.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.444 ' CB ' HD11 ' A' ' 36' ' ' LEU . 48.8 m-85 -150.6 147.64 27.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -130.53 -170.46 2.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.475 ' SD ' ' CG ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -132.33 163.03 29.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.407 ' NH2' ' OE1' ' A' ' 54' ' ' GLU . 7.5 mtt180 -168.57 144.77 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.437 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 61.6 mt-30 -114.37 149.56 35.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.923 HG22 ' OG1' ' A' ' 104' ' ' THR . 53.6 t -136.39 128.23 44.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 25.9 p-10 -135.41 -179.51 5.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.416 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -58.22 -15.49 5.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.572 HG21 ' C ' ' A' ' 16' ' ' GLU . 93.4 t -79.49 -76.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.538 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -166.19 -161.91 16.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.923 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -114.36 111.75 21.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.375 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.74 169.07 0.43 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.947 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.07 13.4 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.487 1.783 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 137.37 21.56 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.8 t -94.18 163.32 13.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.86 129.76 11.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 159.01 41.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.3 p -77.11 164.63 25.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -63.64 165.64 7.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.35 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.81 119.93 16.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.456 HD13 HG12 ' A' ' 29' ' ' ILE . 2.3 pp -119.89 166.62 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.6 122.69 40.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 53.1 p -80.9 153.83 27.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.6 mt -67.09 177.85 1.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.404 ' HG2' ' CD1' ' A' ' 89' ' ' PHE . 1.8 mm-40 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.06 147.69 34.05 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.497 1.788 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.456 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.1 Cg_endo -75.02 158.14 42.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.466 1.771 . . . . 0.0 110.956 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.49 ' O ' HG21 ' A' ' 102' ' ' VAL . 47.3 mt-10 -112.85 179.32 4.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.492 HD21 ' CA ' ' A' ' 103' ' ' GLY . 8.1 mt -80.52 152.61 73.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.474 ' CG ' ' HB3' ' A' ' 98' ' ' GLN . 18.3 Cg_endo -75.02 -161.63 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.52 168.29 21.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 120.51 6.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.457 1.767 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 145.11 31.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.532 1.806 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.2 p -121.6 -165.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.389 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 61.75 31.55 18.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.74 133.55 41.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -148.86 156.28 26.76 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.591 HD13 ' HG ' ' A' ' 36' ' ' LEU . 4.7 mm -117.25 106.31 19.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.5 m -122.52 172.88 8.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 46.06 43.68 10.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.546 ' CG1' HG22 ' A' ' 26' ' ' ILE . 20.5 mt -61.99 101.76 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.5 -165.25 41.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -53.63 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.6 mtm180 -128.65 15.87 6.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.07 136.86 20.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.697 HG13 HD12 ' A' ' 86' ' ' LEU . 1.8 m -142.95 157.46 17.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.9 m -100.59 119.94 39.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.591 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -103.41 114.53 28.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -97.56 161.77 13.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.413 ' CE2' ' HE1' ' A' ' 96' ' ' MET . 33.8 p90 -179.73 -171.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -148.04 134.56 9.99 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.65 3.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.466 1.771 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.41 -73.65 0.71 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -128.64 113.25 15.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -64.14 -49.97 70.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.89 32.96 2.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.11 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt 60.79 37.25 18.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.274 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 t -172.12 127.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.8 p -52.89 146.08 11.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.505 HG13 ' CH2' ' A' ' 51' ' ' TRP . 6.6 mm -66.47 150.95 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.5 m -100.29 -38.53 8.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.478 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -169.5 141.0 2.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.549 ' CZ3' ' HG3' ' A' ' 98' ' ' GLN . 7.7 m95 -96.77 144.0 27.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.889 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -111.74 130.29 55.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.11 108.21 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -100.58 172.91 6.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.609 ' CB ' HD13 ' A' ' 69' ' ' ILE . . . -167.94 157.28 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 59' ' ' VAL . 1.2 mt-30 -119.42 147.44 44.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.773 HG13 ' OH ' ' A' ' 92' ' ' TYR . 38.8 t -85.76 130.41 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.663 ' O ' HG12 ' A' ' 60' ' ' VAL . . . 36.4 -98.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 59' ' ' VAL . 5.4 p -46.83 96.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.92 HG21 ' HB2' ' A' ' 93' ' ' SER . 3.2 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.594 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 8.7 m95 -109.93 118.02 35.34 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -100.77 153.23 19.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.889 HD13 ' HG ' ' A' ' 52' ' ' LEU . 6.5 tp -75.79 152.24 37.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.609 HD13 ' CB ' ' A' ' 55' ' ' ALA . 1.2 pt -137.93 -46.95 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.604 ' CB ' HG13 ' A' ' 83' ' ' VAL . 78.2 t60 -129.01 149.03 51.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.624 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.557 ' OE1' HD21 ' A' ' 68' ' ' LEU . 13.4 pt20 -154.82 125.28 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.8 tp -103.48 116.37 32.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.19 135.17 47.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 69.27 88.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 169.59 71.02 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.92 8.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.506 1.793 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -125.0 35.95 4.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -107.37 94.02 4.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -30.86 70.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 64.7 p -143.8 171.07 14.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 110.033 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.8 ptp -164.98 155.32 13.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.463 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 20.3 tt0 -83.01 137.81 33.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.604 HG13 ' CB ' ' A' ' 70' ' ' HIS . 6.2 t -113.51 93.86 29.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -169.15 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.65 ' O ' HD23 ' A' ' 86' ' ' LEU . 4.1 t70 45.58 73.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.697 HD12 HG13 ' A' ' 34' ' ' VAL . 68.8 mt -129.22 144.5 51.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -86.39 116.1 64.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.488 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -74.95 153.86 42.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.9 t80 54.28 40.27 31.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.3 m -146.8 135.41 22.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.364 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 58.0 m -74.12 114.57 12.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 108.277 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.773 ' OH ' HG13 ' A' ' 57' ' ' VAL . 2.6 m-85 -133.81 159.81 39.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.92 ' HB2' HG21 ' A' ' 60' ' ' VAL . 3.9 t -119.26 165.38 14.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.959 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -150.82 140.53 21.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.594 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 5.9 ptp180 -128.65 -168.06 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.413 ' HE1' ' CE2' ' A' ' 38' ' ' PHE . 12.1 mmm -141.68 157.61 44.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 53.1 mtt180 -150.58 157.93 43.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.549 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -123.28 134.69 54.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 1.024 HG22 ' OG1' ' A' ' 104' ' ' THR . 40.3 t -127.74 130.65 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.4 p30 -135.78 -179.26 5.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -15.83 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.49 HG21 ' O ' ' A' ' 16' ' ' GLU . 63.3 t -83.3 -78.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.492 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -160.88 -150.44 5.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 1.024 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -121.51 133.39 55.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.759 . . . . 0.0 110.392 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.401 ' CB ' ' CD ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -72.09 172.99 6.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.04 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 105' ' ' SER . 18.3 Cg_endo -75.02 173.68 14.09 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.812 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.422 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -75.0 137.47 21.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.2 t -94.2 150.76 20.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.032 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -39.47 135.3 1.18 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 157.99 42.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.3 p -82.95 145.64 29.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.002 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -44.01 161.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.01 121.95 16.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.135 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.2 pp -115.63 173.44 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.72 112.89 12.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.417 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 19.4 p -69.7 151.35 45.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.434 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 30.5 mt -64.68 175.06 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.142 . . . . 0.0 110.315 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.439 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 21.8 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.439 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.98 147.53 34.12 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.488 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.6 Cg_endo -74.94 163.02 36.27 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.838 ' O ' HG21 ' A' ' 102' ' ' VAL . 47.4 mt-10 -114.92 174.86 5.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.521 HD23 ' HB ' ' A' ' 102' ' ' VAL . 10.8 mt -76.31 152.62 83.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -170.29 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.43 163.53 20.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 122.67 7.33 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.9 22.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.54 1.81 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 p -108.42 -167.68 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.458 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 m120 61.88 35.56 16.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.38 137.91 40.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.09 144.34 10.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.51 HD13 ' HG ' ' A' ' 36' ' ' LEU . 4.8 mm -105.19 114.8 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.6 p -125.3 172.28 9.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 41.47 57.01 3.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.491 HD13 ' HB ' ' A' ' 114' ' ' ILE . 48.8 mt -71.19 101.79 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.08 -166.1 35.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.445 1.091 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -49.21 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.789 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.21 16.99 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.443 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -152.83 150.01 28.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.704 HG13 HD12 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -151.6 171.19 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.1 m -109.46 124.29 50.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -105.49 126.56 52.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -110.67 159.86 17.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.541 ' CD1' ' O ' ' A' ' 79' ' ' ARG . 35.0 p90 179.68 -172.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 11.9 mtt85 -145.13 134.11 11.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 39' ' ' ARG . 18.4 Cg_endo -75.01 106.11 2.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.77 -87.67 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.573 1.171 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -111.98 104.38 12.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.82 -55.76 23.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 113.03 47.99 0.63 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt 48.09 29.17 1.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 0.732 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.43 ' CG2' ' HB2' ' A' ' 100' ' ' ASN . 0.7 OUTLIER -168.79 128.3 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.8 m -55.67 163.51 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.569 HG13 ' CH2' ' A' ' 51' ' ' TRP . 19.5 mm -84.82 143.52 11.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.09 -37.99 11.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.48 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 3.8 tmm_? -166.36 137.22 3.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CH2' HG13 ' A' ' 48' ' ' ILE . 3.6 m95 -94.01 145.65 24.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 107.981 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.963 ' HG ' HD13 ' A' ' 68' ' ' LEU . 1.2 tp -109.29 129.15 55.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.503 ' O ' HD12 ' A' ' 68' ' ' LEU . 15.8 t -121.44 105.81 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.498 ' OE2' ' CZ ' ' A' ' 97' ' ' ARG . 23.0 mt-10 -99.39 176.83 5.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.522 ' HB3' HG21 ' A' ' 69' ' ' ILE . . . -168.5 156.8 8.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.552 ' O ' ' CD2' ' A' ' 92' ' ' TYR . 2.0 mt-30 -117.97 153.55 33.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.664 HG13 ' OH ' ' A' ' 92' ' ' TYR . 47.2 t -89.09 128.11 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.802 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.95 -95.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' VAL . 53.8 t -42.05 102.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.793 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 58' ' ' GLY . 97.9 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -114.34 102.39 10.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 108.021 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.5 mt -94.65 154.91 17.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.242 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.963 HD13 ' HG ' ' A' ' 52' ' ' LEU . 12.1 tp -75.2 155.63 36.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.583 HD11 HG11 ' A' ' 83' ' ' VAL . 2.7 pt -134.75 -47.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.723 ' CB ' HG13 ' A' ' 83' ' ' VAL . 41.5 t60 -130.26 142.69 50.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.607 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.584 ' OE1' HD21 ' A' ' 68' ' ' LEU . 15.6 pt20 -147.7 125.17 11.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 25.1 tp -104.55 118.94 37.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.39 139.32 44.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.3 t30 71.61 71.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.01 68.56 0.21 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 1.09 8.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.53 30.29 6.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -104.7 108.4 19.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.541 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -82.93 -29.05 29.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.8 p -143.24 170.36 15.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.7 ptp -167.42 157.81 11.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 14.2 tt0 -86.08 140.37 30.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.723 HG13 ' CB ' ' A' ' 70' ' ' HIS . 4.8 t -118.27 93.13 44.51 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -164.07 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 44.62 68.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.704 HD12 HG13 ' A' ' 34' ' ' VAL . 21.5 mt -119.87 161.13 21.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.466 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 4.8 m-80 -94.88 112.16 57.13 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.405 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.3 Cg_endo -74.96 144.34 30.29 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.5 t80 60.77 36.08 19.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.8 m -146.89 138.58 24.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.421 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 56.6 m -74.68 132.74 41.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 108.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.664 ' OH ' HG13 ' A' ' 57' ' ' VAL . 5.1 m-85 -151.08 161.47 42.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.432 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 27.4 p -119.49 173.63 6.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.596 ' HB3' HD11 ' A' ' 36' ' ' LEU . 69.1 m-85 -156.86 137.67 13.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.5 -170.6 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 11.3 mmm -140.71 160.07 40.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.498 ' CZ ' ' OE2' ' A' ' 54' ' ' GLU . 72.3 mtt180 -154.72 167.67 29.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.443 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 77.7 mt-30 -131.82 133.95 45.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 1.006 HG22 ' OG1' ' A' ' 104' ' ' THR . 60.0 t -123.78 126.97 73.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.43 ' HB2' ' CG2' ' A' ' 46' ' ' THR . 37.2 p30 -135.58 -179.98 5.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.44 -15.87 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.838 HG21 ' O ' ' A' ' 16' ' ' GLU . 22.0 t -80.59 -67.95 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.518 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -170.43 -143.14 3.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 1.006 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.8 OUTLIER -125.27 143.42 50.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 110.436 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.0 p -76.71 159.13 79.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 174.39 12.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.803 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 129.86 12.69 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 t -93.5 168.76 10.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.15 136.03 39.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.48 39.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.5 p -77.44 146.12 36.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.048 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -44.94 152.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 136.12 56.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.491 ' HB ' HD13 ' A' ' 29' ' ' ILE . 1.8 pp -132.73 -179.36 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.2 121.23 23.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.405 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 41.6 p -75.36 148.67 39.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.6 mt -69.8 173.6 6.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.01 147.68 34.21 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.488 1.783 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.459 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.0 154.6 42.6 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.444 1.76 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.593 ' O ' HG21 ' A' ' 102' ' ' VAL . 42.8 mt-10 -109.3 -176.24 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 17' ' ' LEU . 8.6 mt -85.93 154.3 58.02 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.4 Cg_endo -74.99 -165.27 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.14 163.92 22.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.548 1.155 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.85 6.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 135.14 18.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.8 p -114.36 -166.3 1.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 60.99 29.19 18.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.47 134.29 48.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.99 145.9 14.5 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.594 HG22 ' CG1' ' A' ' 29' ' ' ILE . 4.8 mm -104.25 115.66 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.754 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.5 m -125.23 172.7 9.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 40.29 51.81 2.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.594 ' CG1' HG22 ' A' ' 26' ' ' ILE . 11.3 mt -68.37 100.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -84.96 -168.9 45.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -50.11 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -125.88 8.94 7.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.5 p -146.54 145.19 30.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.689 HG13 HD12 ' A' ' 86' ' ' LEU . 1.9 m -146.48 160.69 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.2 m -102.17 115.6 30.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -100.88 118.59 37.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -104.09 139.67 38.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.542 ' CE2' ' HE1' ' A' ' 96' ' ' MET . 28.3 p90 -151.4 -175.91 5.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -149.73 133.23 8.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 114.3 3.99 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.62 -73.03 0.81 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.125 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.499 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 13.5 t80 -124.6 97.03 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -46.53 -49.56 18.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.499 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 105.86 40.55 1.98 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt 55.94 30.1 15.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.786 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 44' ' ' GLY . 9.4 t -170.89 133.6 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -59.98 160.29 8.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.513 HG13 ' CH2' ' A' ' 51' ' ' TRP . 7.2 mm -79.39 146.1 8.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.27 -35.83 12.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -164.91 145.67 7.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.583 ' HB2' ' HE1' ' A' ' 81' ' ' MET . 24.4 m95 -102.13 135.51 43.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 107.978 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.883 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -106.83 134.23 50.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.7 t -123.56 114.43 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -110.35 160.75 16.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -154.94 164.48 38.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.54 135.16 50.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.9 HG22 ' OH ' ' A' ' 92' ' ' TYR . 28.4 t -71.7 135.61 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.966 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.94 -95.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' VAL . 76.5 t -40.1 127.29 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.966 HG23 ' O ' ' A' ' 58' ' ' GLY . 93.6 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.559 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 19.8 m95 -103.18 118.33 36.55 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.7 mt -107.38 156.57 18.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.883 HD13 ' HG ' ' A' ' 52' ' ' LEU . 8.5 tp -75.56 152.68 37.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.473 HD13 ' CB ' ' A' ' 55' ' ' ALA . 8.6 pt -135.88 -48.27 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.653 ' HB2' HG13 ' A' ' 83' ' ' VAL . 14.2 t60 -136.26 157.79 45.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.826 ' CD ' HD21 ' A' ' 68' ' ' LEU . 1.4 mt-30 -148.82 160.64 43.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.418 HD23 ' CD1' ' A' ' 51' ' ' TRP . 24.5 tp -134.96 106.39 6.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.56 147.1 25.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 0.3 OUTLIER 52.48 87.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.512 ' CD ' ' HB2' ' A' ' 78' ' ' ALA . 0.0 OUTLIER 165.98 70.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -26.22 11.16 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.77 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -77.04 -37.19 55.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.512 ' HB2' ' CD ' ' A' ' 75' ' ' GLU . . . -41.1 127.23 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.21 -23.67 11.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.8 p -143.14 159.5 42.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.017 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.583 ' HE1' ' HB2' ' A' ' 51' ' ' TRP . 5.8 ptp -156.01 159.14 38.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -93.28 138.18 31.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.653 HG13 ' HB2' ' A' ' 70' ' ' HIS . 4.6 t -113.96 93.84 31.4 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.534 ' HD2' ' CE1' ' A' ' 70' ' ' HIS . 18.3 Cg_endo -75.0 -165.78 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.464 1.77 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 42.61 75.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.689 HD12 HG13 ' A' ' 34' ' ' VAL . 62.3 mt -129.34 148.79 51.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -87.33 113.63 54.83 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.428 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -75.02 157.18 42.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.521 1.801 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.0 t80 53.57 40.08 30.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 90.4 m -147.74 137.76 22.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.441 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 60.7 m -74.84 115.29 14.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 108.308 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.9 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.1 m-85 -135.7 158.41 44.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.539 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 94.5 p -119.63 171.69 8.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.474 ' CB ' HD11 ' A' ' 36' ' ' LEU . 65.2 m-85 -156.62 131.57 9.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.559 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 5.0 ptp180 -120.68 -168.7 1.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.244 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.542 ' HE1' ' CE2' ' A' ' 38' ' ' PHE . 17.3 mmm -141.31 159.58 41.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.18 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -153.58 154.02 33.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 104' ' ' THR . 32.1 mt-30 -117.85 144.08 45.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.951 HG22 ' OG1' ' A' ' 104' ' ' THR . 41.4 t -136.06 129.07 46.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 35.0 p-10 -134.36 179.63 6.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.16 -17.8 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.593 HG21 ' O ' ' A' ' 16' ' ' GLU . 58.7 t -82.19 -79.78 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.447 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -161.45 -150.82 6.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.951 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -118.66 146.07 44.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 110.384 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.42 ' CB ' ' CD ' ' A' ' 106' ' ' PRO . 0.4 OUTLIER -82.37 174.01 6.72 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.986 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 105' ' ' SER . 18.3 Cg_endo -75.02 173.24 14.85 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.799 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.411 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -74.95 136.73 20.9 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 109' ' ' GLN . 2.6 t -94.14 145.09 24.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 108' ' ' SER . 2.2 mp0 -37.66 140.34 0.52 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.57 34.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.791 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 79.7 p -77.54 146.42 36.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 112' ' ' ARG . 23.0 mtm105 -39.33 146.81 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -66.34 117.35 8.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 pp -109.3 173.12 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -127.73 109.91 12.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 19.7 p -61.51 153.95 25.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.447 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 55.4 mt -65.98 172.68 3.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.349 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.423 HG13 ' HD2' ' A' ' 14' ' ' PRO . 38.2 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.4 Cg_endo -74.99 147.79 34.46 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.498 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -75.0 162.17 37.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.694 ' O ' HG21 ' A' ' 102' ' ' VAL . 47.7 mt-10 -116.33 173.94 6.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.467 HD21 ' CA ' ' A' ' 103' ' ' GLY . 11.6 mt -78.16 154.79 79.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.5 Cg_endo -74.98 -161.41 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.454 1.765 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.47 169.44 23.44 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.18 4.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 140.6 25.56 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.79 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.6 p -113.51 -165.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 64.49 26.06 13.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.515 HD11 ' HG3' ' A' ' 96' ' ' MET . 0.2 OUTLIER -71.02 128.16 35.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.4 147.18 16.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.534 HG22 ' CG1' ' A' ' 29' ' ' ILE . 26.2 mm -99.73 121.03 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 m -127.17 167.89 15.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 41.07 54.67 3.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.534 ' CG1' HG22 ' A' ' 26' ' ' ILE . 8.5 mt -68.7 100.22 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -84.97 -168.82 45.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -48.11 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -128.98 10.25 5.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.418 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 1.1 p -147.35 148.47 31.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.032 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.632 HG13 HD12 ' A' ' 86' ' ' LEU . 1.1 m -149.72 164.1 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.7 m -107.28 113.24 26.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.429 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.475 ' HG ' ' CD1' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -96.98 129.06 44.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -111.12 143.81 41.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 35.3 p90 -157.58 -171.45 3.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -157.87 132.71 5.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 111.39 3.31 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.39 -72.03 0.85 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.495 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 10.6 t80 -129.37 86.71 2.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.06 -58.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.495 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 115.18 58.52 0.35 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt 43.45 34.42 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 44' ' ' GLY . 13.7 t -173.53 141.89 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.7 m -73.35 163.56 27.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.621 HG23 ' H ' ' A' ' 99' ' ' VAL . 7.5 mm -81.2 137.29 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.2 m -85.01 -27.91 26.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.424 ' CD ' HD13 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -170.24 138.77 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.561 ' CH2' HG13 ' A' ' 48' ' ' ILE . 46.0 m95 -95.66 135.44 37.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.913 ' HG ' HD13 ' A' ' 68' ' ' LEU . 1.6 tp -106.2 134.22 49.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.8 t -127.88 105.78 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -99.83 169.68 9.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -167.02 162.29 15.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.647 ' OE1' HG23 ' A' ' 60' ' ' VAL . 7.3 mt-30 -121.97 148.52 44.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.753 HG22 ' OH ' ' A' ' 92' ' ' TYR . 43.8 t -88.76 127.13 41.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.573 ' O ' HG12 ' A' ' 60' ' ' VAL . . . 38.77 -95.2 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.551 1.157 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' VAL . 46.9 t -50.77 99.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.726 HG21 ' HB2' ' A' ' 93' ' ' SER . 2.7 p . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.521 ' CH2' ' HB3' ' A' ' 93' ' ' SER . 10.2 m95 -116.49 117.21 29.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 107.985 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 mt -107.18 158.32 17.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.913 HD13 ' HG ' ' A' ' 52' ' ' LEU . 1.7 tp -74.43 142.17 44.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.499 HD11 HG11 ' A' ' 83' ' ' VAL . 4.0 pt -124.35 -42.02 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.709 ' HB2' HG13 ' A' ' 83' ' ' VAL . 13.3 t60 -139.82 142.06 36.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.581 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.725 ' HB3' HD11 ' A' ' 68' ' ' LEU . 18.2 pt20 -144.72 133.94 22.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.647 HD21 ' CB ' ' A' ' 78' ' ' ALA . 23.8 tp -106.9 118.34 36.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.0 m -103.54 150.0 24.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.978 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 46.98 81.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.467 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 171.64 67.65 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -17.24 19.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -84.48 -22.26 30.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.586 1.179 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.647 ' CB ' HD21 ' A' ' 72' ' ' LEU . . . -58.33 108.84 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -88.56 -23.54 23.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.9 p -143.29 163.05 34.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.6 ptp -162.85 157.7 21.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.414 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 24.3 tt0 -89.65 138.74 31.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.709 HG13 ' HB2' ' A' ' 70' ' ' HIS . 3.1 t -115.4 93.65 36.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.431 ' HD2' ' CE1' ' A' ' 70' ' ' HIS . 18.2 Cg_endo -74.99 -165.01 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.792 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 46.98 65.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.632 HD12 HG13 ' A' ' 34' ' ' VAL . 72.4 mt -124.09 146.36 48.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.515 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 4.0 m120 -86.17 116.74 66.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.424 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.5 Cg_endo -74.95 151.56 39.93 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.539 1.81 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.433 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 38.9 t80 54.92 42.31 31.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.1 m -147.77 139.12 23.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 62.9 m -74.64 118.89 18.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 108.304 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.753 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.8 m-85 -136.35 151.8 49.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.726 ' HB2' HG21 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -119.56 160.4 22.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 55' ' ' ALA . 62.7 m-85 -143.96 156.11 44.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.408 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 5.5 ptp180 -139.86 -169.74 2.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.573 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -135.38 164.38 27.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -167.65 144.57 4.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.451 ' HB2' ' CG ' ' A' ' 18' ' ' PRO . 35.7 mt-30 -113.81 148.27 36.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.621 ' H ' HG23 ' A' ' 48' ' ' ILE . 23.4 t -135.45 126.55 44.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.354 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -135.67 -178.67 5.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -11.9 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.694 HG21 ' O ' ' A' ' 16' ' ' GLU . 97.7 t -80.27 -72.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.467 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -163.92 -145.16 4.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.452 1.095 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.6 109.43 10.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 110.396 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.4 p -53.08 160.84 1.42 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 109.978 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.78 13.92 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.94 25.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.456 1.767 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 t -94.48 165.89 12.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.08 136.83 57.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 153.46 41.7 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.788 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.4 p -80.25 164.33 23.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.053 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -53.36 151.65 5.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 119.85 12.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.2 pp -112.94 168.08 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -126.47 108.07 10.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.424 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 36.6 p -57.82 157.86 7.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.439 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.4 mt -67.68 175.83 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -74.99 147.7 34.33 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.495 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -74.98 167.06 27.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.894 ' O ' HG21 ' A' ' 102' ' ' VAL . 47.7 mt-10 -119.74 175.97 5.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.541 HD21 ' HA3' ' A' ' 103' ' ' GLY . 10.5 mt -76.83 153.61 83.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.2 Cg_endo -75.05 -161.13 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.544 1.813 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -134.0 168.86 23.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.15 5.17 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.477 1.777 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 136.58 20.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.1 p -112.48 -167.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 62.54 30.04 17.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.6 HD11 ' HB2' ' A' ' 96' ' ' MET . 0.1 OUTLIER -72.51 147.64 45.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.0 137.25 2.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.452 ' CD1' ' CB ' ' A' ' 111' ' ' SER . 5.3 mp -111.78 117.49 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.3 t -122.91 166.93 14.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.088 . . . . 0.0 109.966 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 58.72 42.63 19.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.551 HD13 ' HB ' ' A' ' 114' ' ' ILE . 24.4 mt -64.28 121.17 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -100.12 -155.55 27.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -57.41 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.769 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -130.28 24.12 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.77 136.85 16.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.725 HG13 HD12 ' A' ' 86' ' ' LEU . 1.8 m -144.41 163.6 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 26' ' ' ILE . 3.4 m -104.59 123.68 47.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.453 HD11 ' HB3' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -101.67 129.92 47.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -113.63 155.72 24.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -178.47 -177.33 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -149.82 134.98 9.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 109.81 3.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.63 -71.89 0.93 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.51 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 12.1 t80 -125.52 100.67 6.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.79 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -55.03 -51.43 66.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.51 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 110.63 33.61 2.42 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.483 1.114 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt 61.56 35.61 17.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -172.16 123.93 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.366 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 m -55.8 147.78 18.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.535 HG13 ' CH2' ' A' ' 51' ' ' TRP . 7.4 mm -67.0 144.78 14.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.6 t -92.02 -31.98 15.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.485 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -169.59 140.25 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.535 ' CH2' HG13 ' A' ' 48' ' ' ILE . 23.0 m95 -96.16 136.7 36.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.042 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.946 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -107.76 130.32 54.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 95' ' ' ARG . 47.7 t -122.41 104.97 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.472 ' HB2' ' CG ' ' A' ' 95' ' ' ARG . 9.5 mt-10 -104.45 159.14 15.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -148.83 164.0 35.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.583 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 4.1 mt-30 -120.08 143.08 48.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.147 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.577 ' HA ' ' CE1' ' A' ' 92' ' ' TYR . 1.6 p -89.24 132.44 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.894 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 37.26 -96.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 59' ' ' VAL . 12.2 p -45.95 97.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 58' ' ' GLY . 79.1 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.622 ' CD2' ' CZ ' ' A' ' 95' ' ' ARG . 5.4 m95 -114.91 107.01 14.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 108.034 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mt -88.21 151.48 22.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.946 HD13 ' HG ' ' A' ' 52' ' ' LEU . 9.1 tp -78.14 153.31 32.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.552 HD11 HG11 ' A' ' 83' ' ' VAL . 3.8 pt -133.2 -48.32 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.77 ' HB2' HG13 ' A' ' 83' ' ' VAL . 41.1 t60 -129.29 151.28 50.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.597 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.455 ' OE1' HD21 ' A' ' 68' ' ' LEU . 17.0 pt20 -155.95 127.45 7.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.495 HD11 ' OE2' ' A' ' 75' ' ' GLU . 42.3 tp -104.01 109.39 21.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.14 155.75 16.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.5 t30 40.95 77.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.495 ' OE2' HD11 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 176.97 64.95 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.316 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.78 8.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -115.44 50.48 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.08 108.12 9.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -76.5 -33.5 58.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.5 p -143.3 168.55 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -165.72 158.46 15.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.453 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 23.5 tt0 -84.56 139.9 31.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.77 HG13 ' HB2' ' A' ' 70' ' ' HIS . 8.4 t -113.66 94.12 31.24 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -164.77 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 t70 44.63 65.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.725 HD12 HG13 ' A' ' 34' ' ' VAL . 42.3 mt -120.41 142.16 49.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 0.7 OUTLIER -88.12 113.61 55.71 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.483 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.4 Cg_endo -74.96 146.15 32.48 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.2 t80 68.71 37.4 2.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.0 m -148.12 138.03 22.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.353 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 69.2 m -77.07 117.43 18.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 108.299 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 56' ' ' GLN . 4.2 m-85 -136.51 162.12 33.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.604 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 73.8 m -119.48 -176.92 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 93' ' ' SER . 52.2 m-85 -156.77 127.36 6.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.622 ' CZ ' ' CD2' ' A' ' 66' ' ' TRP . 5.8 ptp180 -127.14 144.78 50.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.6 ' HB2' HD11 ' A' ' 24' ' ' LEU . 17.4 mmm -97.19 160.07 14.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -156.6 148.54 22.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -114.37 148.18 38.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.943 HG22 ' OG1' ' A' ' 104' ' ' THR . 91.9 t -139.53 124.54 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -133.09 -179.77 5.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.401 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.4 OUTLIER -61.48 -13.55 8.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.894 HG21 ' O ' ' A' ' 16' ' ' GLU . 24.8 t -79.95 -70.16 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.541 ' HA3' HD21 ' A' ' 17' ' ' LEU . . . -165.74 -150.19 6.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.943 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -126.9 101.66 6.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 110.408 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 p -42.44 163.31 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.08 13.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 140.19 25.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.5 t -94.3 166.9 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.74 137.74 24.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.56 42.13 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.452 ' CB ' ' CD1' ' A' ' 26' ' ' ILE . 53.3 p -75.66 167.03 22.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.954 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -64.27 159.51 20.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 113.57 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.551 ' HB ' HD13 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -107.54 -174.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -147.55 109.54 4.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 18.1 p -66.51 144.44 56.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.369 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 39.2 mt -64.16 176.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.274 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.535 HG13 ' HD2' ' A' ' 14' ' ' PRO . 60.2 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.535 ' HD2' HG13 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 147.65 34.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.492 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.05 161.0 39.32 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.618 ' O ' HG21 ' A' ' 102' ' ' VAL . 48.9 mt-10 -117.3 176.89 4.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.506 HD21 ' CA ' ' A' ' 103' ' ' GLY . 8.3 mt -77.65 152.17 80.46 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -161.58 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.49 167.32 20.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 120.0 5.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 145.25 31.05 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.518 1.799 . . . . 0.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.0 p -120.48 -168.07 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.365 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 63.29 24.93 14.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.464 HD11 ' HB2' ' A' ' 96' ' ' MET . 0.2 OUTLIER -68.12 133.57 49.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.32 142.42 7.71 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.555 1.16 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.453 HG22 HG13 ' A' ' 29' ' ' ILE . 4.6 mp -111.05 129.37 66.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.3 m -130.19 168.97 15.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 50.28 43.47 26.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.453 HG13 HG22 ' A' ' 26' ' ' ILE . 7.4 mt -56.69 110.2 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.08 -169.62 46.13 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -44.15 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -134.05 10.8 3.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.3 139.78 24.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.971 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.671 HG13 HD12 ' A' ' 86' ' ' LEU . 2.4 m -140.92 165.28 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 m -106.87 110.12 22.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.368 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 tt -92.76 116.0 28.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -99.97 142.58 31.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.565 ' CE1' ' O ' ' A' ' 79' ' ' ARG . 20.6 p90 -157.18 179.26 9.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -145.72 129.79 8.66 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 115.29 4.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.81 . . . . 0.0 110.966 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.33 -78.72 0.54 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -127.41 124.49 38.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.26 -59.34 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.13 36.75 1.19 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.6 mttt 79.27 3.0 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.45 HG23 ' HB2' ' A' ' 100' ' ' ASN . 4.1 t -153.52 126.08 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.452 ' C ' HD13 ' A' ' 48' ' ' ILE . 2.2 m -55.18 -175.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.551 HG23 ' H ' ' A' ' 99' ' ' VAL . 5.3 mm -94.62 147.93 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.49 -26.63 13.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.461 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 3.7 tmm_? -169.94 142.26 2.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.453 ' CH2' HG13 ' A' ' 48' ' ' ILE . 19.8 m95 -99.37 129.13 45.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.018 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.968 ' HG ' HD13 ' A' ' 68' ' ' LEU . 2.9 tp -102.25 126.43 49.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.422 ' O ' HD12 ' A' ' 68' ' ' LEU . 36.4 t -116.76 106.61 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.416 ' OE1' ' NH2' ' A' ' 97' ' ' ARG . 39.5 mt-10 -100.43 163.82 12.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -162.62 160.26 25.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.46 146.82 45.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.773 HG22 ' OH ' ' A' ' 92' ' ' TYR . 45.3 t -81.07 133.03 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.635 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 35.03 -100.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 59' ' ' VAL . 6.4 p -40.56 103.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 58' ' ' GLY . 97.0 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.517 ' CH2' ' HB3' ' A' ' 93' ' ' SER . 5.6 m95 -114.48 128.43 56.33 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mt -107.74 154.97 20.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.968 HD13 ' HG ' ' A' ' 52' ' ' LEU . 9.1 tp -76.92 154.52 33.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.557 HD11 HG11 ' A' ' 83' ' ' VAL . 6.2 pt -135.06 -46.88 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.771 ' HB2' HG13 ' A' ' 83' ' ' VAL . 57.5 t60 -132.2 135.46 46.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.615 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.438 ' HG2' HD21 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -140.2 118.46 12.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.3 tp -103.95 117.28 33.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 m -104.73 148.04 27.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.434 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 71.5 m-80 59.89 87.03 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER 164.63 68.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.27 7.95 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -101.82 -43.28 5.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -43.42 111.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.565 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -91.7 -26.26 18.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.348 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.53 160.2 41.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.965 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -163.95 160.64 22.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -82.91 142.79 31.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.771 HG13 ' HB2' ' A' ' 70' ' ' HIS . 22.9 t -117.78 93.75 44.58 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.418 ' HD2' ' ND1' ' A' ' 70' ' ' HIS . 18.1 Cg_endo -74.98 -163.91 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.444 1.76 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 t0 48.51 65.47 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.671 HD12 HG13 ' A' ' 34' ' ' VAL . 84.6 mt -125.82 150.45 47.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -88.55 120.54 70.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.481 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -75.03 139.99 24.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.0 t80 61.91 46.1 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 78.1 m -148.07 136.59 21.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.344 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 61.6 m -74.48 124.54 26.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 108.288 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.773 ' OH ' HG22 ' A' ' 57' ' ' VAL . 2.1 m-85 -143.53 162.55 35.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.559 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 4.6 t -119.46 173.31 7.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.983 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 93' ' ' SER . 45.9 m-85 -157.17 140.75 15.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.25 -168.86 2.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.467 ' HE2' ' CD2' ' A' ' 38' ' ' PHE . 18.9 mmm -142.56 159.58 41.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.416 ' NH2' ' OE1' ' A' ' 54' ' ' GLU . 17.4 mtt180 -157.16 150.54 24.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -115.69 141.72 47.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.936 HG22 ' OG1' ' A' ' 104' ' ' THR . 78.9 t -128.82 125.24 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.45 ' HB2' HG23 ' A' ' 46' ' ' THR . 32.6 p-10 -131.21 -179.53 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -13.49 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.618 HG21 ' O ' ' A' ' 16' ' ' GLU . 93.4 t -81.05 -80.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.506 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -156.56 -155.52 7.46 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.936 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -119.72 103.58 9.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.783 . . . . 0.0 110.457 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.23 165.89 0.13 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.041 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 174.41 12.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.475 1.776 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 139.18 23.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.5 t -94.4 158.3 15.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -47.01 137.57 7.81 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.54 42.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.79 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 p -77.43 174.67 10.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.038 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -69.09 168.42 13.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.62 121.37 18.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 pp -117.96 170.16 7.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -134.16 120.1 19.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.347 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.6 p -75.37 156.81 35.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 20.5 mt -73.98 178.05 5.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -74.99 147.81 34.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.555 ' HG2' HG22 ' A' ' 102' ' ' VAL . 18.5 Cg_endo -74.96 156.39 43.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -111.88 167.98 9.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 17' ' ' LEU . 8.2 mt -77.01 153.81 82.75 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.5 Cg_endo -74.97 -176.89 3.1 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.443 1.759 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.56 173.66 18.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.26 5.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 156.94 42.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.773 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.5 p -125.2 -165.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.42 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.3 m120 61.44 34.44 18.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.342 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.64 HD11 ' HG3' ' A' ' 96' ' ' MET . 0.1 OUTLIER -79.49 132.11 36.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -145.66 159.44 27.92 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.742 HG22 HD11 ' A' ' 29' ' ' ILE . 15.7 mm -124.4 104.44 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.54 172.61 10.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 46.69 52.79 10.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.742 HD11 HG22 ' A' ' 26' ' ' ILE . 62.4 mt -77.89 101.53 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.92 -158.87 29.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.429 1.081 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -56.9 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.523 1.801 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -126.96 21.59 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.427 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 0.8 OUTLIER -151.45 143.2 23.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.763 HG13 HD12 ' A' ' 86' ' ' LEU . 2.2 m -151.23 153.27 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.0 m -95.43 129.58 42.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.562 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -114.6 119.48 36.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -99.73 141.46 32.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.592 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 30.0 p90 -156.04 -179.59 8.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -148.5 136.0 10.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 106.75 2.34 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.31 -45.0 32.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 25.1 t80 -157.78 97.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 110.999 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.558 ' HA ' HD11 ' A' ' 48' ' ' ILE . 16.9 m-20 -59.41 -57.34 13.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.66 41.56 0.29 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt 49.82 28.46 2.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 0.0 109.298 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 47' ' ' SER . 7.5 t -156.96 24.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.463 ' O ' HD13 ' A' ' 48' ' ' ILE . 6.3 t 43.64 -166.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.619 HD12 ' HB3' ' A' ' 98' ' ' GLN . 25.2 mm -113.23 144.85 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.08 -34.57 11.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -159.57 137.88 10.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.53 ' CZ3' HG13 ' A' ' 48' ' ' ILE . 18.5 m95 -97.12 124.11 41.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 107.98 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.881 ' HG ' HD13 ' A' ' 68' ' ' LEU . 3.4 tp -95.85 143.43 27.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.0 t -134.14 114.01 18.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -108.23 169.49 8.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -163.47 161.56 24.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.4 137.91 54.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.245 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.773 HG22 ' OH ' ' A' ' 92' ' ' TYR . 29.4 t -76.07 134.99 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.877 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.42 -98.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.573 1.171 . . . . 0.0 111.027 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 57' ' ' VAL . 3.1 p -41.1 118.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 58' ' ' GLY . 72.1 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.601 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 11.3 m95 -118.35 113.1 20.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.002 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.3 mt -102.67 158.2 16.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.881 HD13 ' HG ' ' A' ' 52' ' ' LEU . 2.4 tp -73.19 151.03 41.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.55 HG21 ' HB3' ' A' ' 55' ' ' ALA . 7.0 pt -132.19 -44.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.466 ' CB ' HG13 ' A' ' 83' ' ' VAL . 79.9 t60 -136.01 137.05 40.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.621 ' HB3' HD11 ' A' ' 68' ' ' LEU . 22.6 pt20 -142.13 124.61 15.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.7 tp -106.75 124.18 49.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.3 OUTLIER -108.64 163.13 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 0.8 OUTLIER 38.93 83.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.474 ' OE2' ' HB2' ' A' ' 78' ' ' ALA . 0.0 OUTLIER 166.48 67.86 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -26.88 10.47 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.461 1.769 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -69.92 -35.98 74.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.474 ' HB2' ' OE2' ' A' ' 75' ' ' GLU . . . -48.87 116.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -97.12 -21.32 17.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.299 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.2 p -143.27 165.15 28.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.06 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -169.81 162.14 9.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -89.37 145.26 25.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 110.342 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.466 HG13 ' CB ' ' A' ' 70' ' ' HIS . 16.0 t -114.14 93.59 31.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 85' ' ' ASP . 18.2 Cg_endo -74.99 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.462 1.769 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.554 ' O ' HD23 ' A' ' 86' ' ' LEU . 21.8 t0 40.13 69.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.763 HD12 HG13 ' A' ' 34' ' ' VAL . 19.7 mt -122.29 150.58 42.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -87.58 115.29 62.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.421 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.3 Cg_endo -74.98 155.72 43.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.402 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 35.1 t80 47.75 42.34 15.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.953 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.4 m -147.43 136.4 22.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 57.0 m -74.4 114.08 12.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 108.256 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.773 ' OH ' HG22 ' A' ' 57' ' ' VAL . 2.2 m-85 -135.34 158.3 44.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 110.968 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.557 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 4.0 t -119.54 177.12 5.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.401 ' CG ' ' C ' ' A' ' 93' ' ' SER . 59.6 m-85 -156.8 135.13 11.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.601 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 5.6 ptp180 -122.63 -170.35 2.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.64 ' HG3' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -131.61 166.36 21.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.442 ' HD3' ' CG2' ' A' ' 104' ' ' THR . 6.6 mtt180 -170.25 143.97 2.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.619 ' HB3' HD12 ' A' ' 48' ' ' ILE . 70.5 mt-30 -113.81 138.47 50.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 1.041 HG22 ' OG1' ' A' ' 104' ' ' THR . 55.5 t -127.75 120.56 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 103' ' ' GLY . 34.4 p-10 -123.68 174.34 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.45 HG22 ' H ' ' A' ' 101' ' ' ILE . 1.2 tt -54.89 -18.87 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.555 HG22 ' HG2' ' A' ' 15' ' ' PRO . 38.2 t -80.44 -73.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' ' OD1' ' A' ' 100' ' ' ASN . . . -164.09 -144.29 3.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.431 1.082 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 1.041 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -130.59 148.15 52.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.767 . . . . 0.0 110.408 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.408 ' CB ' ' CD ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -82.05 173.78 7.1 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.984 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 105' ' ' SER . 18.4 Cg_endo -75.01 168.09 25.6 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.477 1.777 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.407 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -75.02 136.1 19.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.1 t -94.8 149.44 21.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.8 147.84 0.39 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 149.26 36.28 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.0 p -77.61 155.5 31.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.028 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -43.66 149.35 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.44 139.11 51.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.484 ' HB ' HD13 ' A' ' 29' ' ' ILE . 2.0 pp -139.57 176.09 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.6 118.87 20.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 22.5 p -68.96 149.8 48.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 54.1 mt -68.02 173.24 4.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.571 HG13 ' HD2' ' A' ' 14' ' ' PRO . 62.4 t . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.571 ' HD2' HG13 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 147.93 34.57 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.432 1.754 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.491 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -75.04 161.42 38.66 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.929 ' O ' HG21 ' A' ' 102' ' ' VAL . 43.7 mt-10 -111.59 175.74 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.522 HD21 ' HA3' ' A' ' 103' ' ' GLY . 12.2 mt -77.76 154.96 80.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -166.37 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.541 1.811 . . . . 0.0 111.053 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.34 164.82 20.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 120.11 5.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.97 37.39 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.465 1.771 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.7 p -124.85 -166.3 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.359 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 m120 61.49 31.7 18.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.67 133.07 42.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.626 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -152.22 153.56 24.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.495 HG22 ' CG1' ' A' ' 29' ' ' ILE . 10.5 mm -110.61 117.51 55.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.9 t -129.48 166.13 20.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 42.2 55.79 3.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.495 ' CG1' HG22 ' A' ' 26' ' ' ILE . 8.5 mt -71.27 100.55 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.74 -168.57 39.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -50.04 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -128.64 11.28 6.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.09 139.04 23.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.97 HG13 HD12 ' A' ' 86' ' ' LEU . 1.5 m -143.69 161.86 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 m -106.37 120.1 40.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 25' ' ' GLY . 0.4 OUTLIER -106.94 122.61 46.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -101.11 143.03 31.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.548 ' CE2' ' HE1' ' A' ' 96' ' ' MET . 11.3 p90 -154.22 -174.73 5.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -149.87 130.65 7.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 109.87 3.01 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.45 -54.53 25.84 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.443 1.09 . . . . 0.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.564 ' CE2' ' HA2' ' A' ' 44' ' ' GLY . 47.9 t80 -157.61 137.69 12.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -81.48 -61.52 1.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.564 ' HA2' ' CE2' ' A' ' 42' ' ' TYR . . . 119.81 33.81 1.04 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 44' ' ' GLY . 5.3 mttt 89.09 -22.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.8 t -127.85 130.57 48.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.0 p -55.59 -179.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' A' ' 98' ' ' GLN . 19.7 mm -90.84 146.12 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.2 m -98.17 -27.67 14.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.483 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -171.22 143.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.45 ' CH2' HG13 ' A' ' 48' ' ' ILE . 13.2 m95 -99.64 143.61 29.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.005 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.958 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -112.49 133.21 54.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.2 t -127.51 104.8 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -101.13 164.64 11.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -151.34 163.86 37.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -120.14 140.24 51.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.805 HG22 ' OH ' ' A' ' 92' ' ' TYR . 26.3 t -80.44 128.21 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.992 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.78 -96.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 57' ' ' VAL . 98.4 t -40.77 107.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.992 HG23 ' O ' ' A' ' 58' ' ' GLY . 84.3 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.602 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 8.5 m95 -111.26 114.37 27.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 107.968 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.8 mt -104.54 158.44 16.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.958 HD13 ' HG ' ' A' ' 52' ' ' LEU . 5.2 tp -78.05 152.49 32.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.439 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 3.4 pt -136.99 -47.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.732 ' CB ' HG13 ' A' ' 83' ' ' VAL . 85.5 t60 -127.65 140.22 52.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.611 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.556 ' HB3' HD11 ' A' ' 68' ' ' LEU . 18.8 pt20 -149.19 124.84 10.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.3 tp -103.55 114.34 28.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 74' ' ' ASN . 3.6 m -98.18 155.53 17.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 73' ' ' SER . 3.5 t30 40.21 84.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 173.07 65.05 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -2.51 12.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.468 1.772 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.05 48.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.07 99.52 6.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -65.04 -36.55 84.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.238 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.4 p -143.74 167.71 21.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.9 ptp -160.28 157.93 28.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.487 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 12.8 tt0 -87.87 140.14 29.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.253 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.732 HG13 ' CB ' ' A' ' 70' ' ' HIS . 24.4 t -114.09 93.58 30.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.423 ' HD2' ' ND1' ' A' ' 70' ' ' HIS . 18.3 Cg_endo -75.0 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.568 ' O ' HD23 ' A' ' 86' ' ' LEU . 2.6 t70 44.86 63.75 1.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.97 HD12 HG13 ' A' ' 34' ' ' VAL . 17.3 mt -120.38 140.79 50.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -86.29 114.2 56.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.489 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.2 Cg_endo -75.02 150.2 37.72 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.426 1.751 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.6 t80 62.58 36.99 13.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.1 m -147.71 136.28 21.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.389 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 57.4 m -74.61 114.04 12.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.281 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.805 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.3 m-85 -133.46 160.42 37.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.506 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -119.13 175.27 5.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 93' ' ' SER . 58.6 m-85 -154.41 141.83 19.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.602 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 4.5 ptp180 -130.97 -169.93 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.548 ' HE1' ' CE2' ' A' ' 38' ' ' PHE . 22.5 mmm -141.24 159.9 41.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -160.11 155.68 25.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.596 ' HB3' HD12 ' A' ' 48' ' ' ILE . 61.8 mt-30 -119.5 136.06 54.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.476 HG22 ' OG1' ' A' ' 104' ' ' THR . 10.7 t -124.48 121.23 61.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 36.2 p30 -132.86 179.56 6.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.407 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.4 OUTLIER -60.27 -15.14 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.929 HG21 ' O ' ' A' ' 16' ' ' GLU . 19.9 t -80.25 -63.71 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.522 ' HA3' HD21 ' A' ' 17' ' ' LEU . . . -177.37 -151.29 9.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.476 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -122.52 114.75 21.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 0.0 110.427 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.22 166.05 0.45 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 173.94 13.63 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.418 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.3 Cg_endo -75.01 136.81 20.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 t -93.97 164.31 13.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.057 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.05 132.62 22.92 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 152.67 41.38 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.487 1.782 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.1 p -79.02 159.0 27.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.023 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -57.58 157.41 7.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.97 114.0 4.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.429 HD11 ' HE2' ' A' ' 94' ' ' PHE . 1.5 pp -107.25 166.29 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -122.14 116.09 23.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 p -72.87 150.81 42.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.386 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.489 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 36.0 mt -65.34 174.4 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.462 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 39.7 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.462 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.05 147.33 33.59 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.532 1.806 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 18.4 Cg_endo -74.94 164.21 33.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 75.5 mm-40 -122.43 -179.32 4.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.476 HD21 ' CA ' ' A' ' 103' ' ' GLY . 7.3 mt -82.26 152.84 68.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.3 Cg_endo -75.01 -163.11 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.477 1.777 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.25 169.31 21.79 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.92 4.73 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 142.87 28.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.77 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.7 p -121.65 -165.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m120 64.86 25.42 12.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 96' ' ' MET . 0.1 OUTLIER -69.32 137.15 52.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.498 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -148.91 163.94 29.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.609 HD13 ' HG ' ' A' ' 36' ' ' LEU . 4.9 mm -127.04 105.41 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 98.5 p -121.36 172.87 7.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 41.59 54.03 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.519 ' CG1' HG22 ' A' ' 26' ' ' ILE . 27.5 mt -71.28 101.27 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.51 -168.58 42.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.29 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -135.3 12.39 3.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.16 139.65 23.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.957 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.661 HG13 HD12 ' A' ' 86' ' ' LEU . 1.4 m -144.02 164.67 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.2 m -106.14 116.11 31.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.609 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -101.88 116.32 32.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -99.71 142.4 31.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.418 ' CE1' ' HE3' ' A' ' 81' ' ' MET . 29.8 p90 -154.03 178.51 9.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.06 131.64 10.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.344 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 106.84 2.35 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.04 -63.5 3.79 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 2.2 t80 -136.2 101.28 4.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 0.732 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.53 -50.51 71.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.478 ' O ' HG22 ' A' ' 46' ' ' THR . . . 109.67 43.77 1.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt 54.85 32.97 18.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 44' ' ' GLY . 6.9 t -170.59 126.78 0.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.415 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.1 m -59.1 147.99 32.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.41 HG13 ' CH2' ' A' ' 51' ' ' TRP . 7.3 mm -65.86 141.8 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.9 -28.63 17.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.97 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.441 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -168.42 141.54 3.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.237 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.41 ' CH2' HG13 ' A' ' 48' ' ' ILE . 32.5 m95 -98.94 135.22 40.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 108.008 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.901 ' HG ' HD13 ' A' ' 68' ' ' LEU . 1.2 tp -106.58 130.54 54.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.8 t -125.11 104.76 13.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.456 ' OE2' ' N ' ' A' ' 68' ' ' LEU . 3.3 mt-10 -98.85 166.4 11.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.543 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -162.57 155.3 19.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.453 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 1.5 mt-30 -116.75 131.9 56.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.776 HG13 ' OH ' ' A' ' 92' ' ' TYR . 46.5 t -72.04 133.57 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.522 ' O ' HG12 ' A' ' 60' ' ' VAL . . . 37.48 -95.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.649 ' O ' HG13 ' A' ' 59' ' ' VAL . 7.4 p -52.64 98.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.944 HG21 ' HB2' ' A' ' 93' ' ' SER . 3.3 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.596 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 8.3 m95 -120.14 133.23 55.56 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 66' ' ' TRP . 12.0 mt -119.27 154.56 33.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.901 HD13 ' HG ' ' A' ' 52' ' ' LEU . 1.2 tp -75.87 149.71 37.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.501 HD13 ' HB3' ' A' ' 55' ' ' ALA . 3.5 pt -134.46 -45.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.569 ' CD2' ' O ' ' A' ' 82' ' ' GLU . 28.8 t60 -130.69 139.82 50.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.592 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.678 ' HB3' HD11 ' A' ' 68' ' ' LEU . 14.1 pt20 -146.16 128.43 15.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 75' ' ' GLU . 23.8 tp -103.59 116.56 32.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.6 m -99.39 154.77 17.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 40.49 84.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.52 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.0 OUTLIER 169.91 66.3 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -20.0 17.23 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -77.41 -37.21 52.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.48 ' CB ' HD21 ' A' ' 72' ' ' LEU . . . -43.92 116.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -27.25 17.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.246 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.8 p -143.1 162.88 34.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.418 ' HE3' ' CE1' ' A' ' 38' ' ' PHE . 3.5 ptt? -164.42 162.11 21.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.569 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 13.3 tt0 -89.86 146.09 24.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.542 ' O ' HD11 ' A' ' 86' ' ' LEU . 11.1 t -116.97 94.21 43.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.422 ' HD2' ' ND1' ' A' ' 70' ' ' HIS . 18.4 Cg_endo -74.98 -163.27 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.412 ' O ' HD23 ' A' ' 86' ' ' LEU . 7.2 m-20 47.22 60.08 3.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.661 HD12 HG13 ' A' ' 34' ' ' VAL . 58.3 mt -119.39 142.69 47.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -87.13 121.42 71.49 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.44 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.4 Cg_endo -74.98 154.59 42.72 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.6 t80 49.65 42.59 23.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 99.6 m -147.65 138.21 23.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.432 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 58.8 m -74.37 120.37 19.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 108.308 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.776 ' OH ' HG13 ' A' ' 57' ' ' VAL . 2.0 m-85 -139.4 156.78 46.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.16 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.944 ' HB2' HG21 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -119.35 171.32 8.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.051 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.422 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 79.7 m-85 -154.37 144.91 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.596 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 6.2 ptp180 -133.3 -172.55 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.479 ' HB2' HD11 ' A' ' 24' ' ' LEU . 22.9 mmm -140.23 159.73 41.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -155.7 163.73 39.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -128.39 128.17 43.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.962 HG22 ' OG1' ' A' ' 104' ' ' THR . 23.6 t -118.49 127.95 75.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 103' ' ' GLY . 47.6 p-10 -133.98 178.03 7.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.44 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.1 OUTLIER -53.01 -34.48 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 85.4 t -65.29 -75.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.476 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -162.3 -154.59 7.62 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.962 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -118.0 129.94 55.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.764 . . . . 0.0 110.374 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.7 166.55 7.26 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 173.8 13.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.413 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -74.97 135.9 19.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.448 1.762 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.9 t -94.26 167.76 11.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.965 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -55.46 134.41 70.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.263 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 153.47 41.46 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.0 p -78.6 145.86 34.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.406 ' O ' HG23 ' A' ' 114' ' ' ILE . 0.9 OUTLIER -45.38 156.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 110.282 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 115.93 4.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 112' ' ' ARG . 1.1 pp -106.14 172.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -131.85 108.88 9.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.44 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 70.1 p -66.47 167.15 11.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.402 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 23.1 mt -82.65 176.72 9.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.359 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.02 147.44 33.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.474 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.4 Cg_endo -74.97 160.42 40.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.443 1.759 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.487 ' O ' HG21 ' A' ' 102' ' ' VAL . 77.6 mm-40 -116.31 177.39 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.534 HD21 ' CA ' ' A' ' 103' ' ' GLY . 7.4 mt -77.65 150.77 79.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.494 ' CG ' ' HB3' ' A' ' 98' ' ' GLN . 18.2 Cg_endo -75.03 -165.56 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.92 168.76 21.18 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 119.47 5.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 135.85 19.54 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.481 1.78 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.4 p -109.56 -166.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.368 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 61.47 30.86 19.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.42 131.18 41.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -150.31 146.78 16.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.611 HD13 ' HG ' ' A' ' 36' ' ' LEU . 3.3 mm -113.68 106.66 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.749 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.6 m -120.17 172.25 7.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 47.35 53.99 10.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.474 HD13 ' HB ' ' A' ' 114' ' ' ILE . 24.2 mt -75.1 100.88 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.36 -160.41 29.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -50.31 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.09 12.78 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.434 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 2.5 m -143.19 146.1 33.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.859 HG13 HD12 ' A' ' 86' ' ' LEU . 1.5 m -151.64 160.33 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.6 m -99.09 133.85 42.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.424 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.611 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -115.41 132.16 56.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -120.52 140.75 51.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 38' ' ' PHE . 11.5 p90 -156.07 -171.12 3.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.6 mtt85 -153.69 133.71 7.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 105.8 2.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.449 1.762 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.35 -65.18 3.43 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.479 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 8.1 t80 -142.7 91.91 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' TYR . 61.5 m-20 -40.37 -61.72 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.479 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 121.7 37.93 0.64 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 58.33 36.7 25.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -171.43 118.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 p -47.04 146.94 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.579 HG13 ' CH2' ' A' ' 51' ' ' TRP . 5.5 mm -65.75 143.73 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.55 -39.31 12.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -171.2 141.88 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.579 ' CH2' HG13 ' A' ' 48' ' ' ILE . 4.9 m95 -97.18 137.82 35.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 107.995 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.936 ' HG ' HD13 ' A' ' 68' ' ' LEU . 1.2 tp -107.76 128.57 54.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -121.52 106.2 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -101.91 171.57 7.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -161.4 158.65 27.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -116.65 158.66 23.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.853 HG22 ' OH ' ' A' ' 92' ' ' TYR . 93.3 t -96.18 127.61 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.895 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.55 -95.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 57' ' ' VAL . 53.7 t -41.17 98.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 58' ' ' GLY . 65.8 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.488 ' HG3' ' CD2' ' A' ' 67' ' ' LEU . 1.7 pt-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.43 ' CD1' ' NH2' ' A' ' 95' ' ' ARG . 8.2 m95 -126.95 128.89 47.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 107.982 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.488 ' CD2' ' HG3' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -103.74 149.51 24.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.936 HD13 ' HG ' ' A' ' 52' ' ' LEU . 3.1 tp -76.7 151.04 36.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.452 HD11 HG11 ' A' ' 83' ' ' VAL . 6.6 pt -136.42 -45.67 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.744 ' CB ' HG13 ' A' ' 83' ' ' VAL . 69.8 t60 -130.81 139.48 50.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.631 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.678 ' HB3' HD11 ' A' ' 68' ' ' LEU . 15.5 pt20 -147.58 123.22 10.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.0 tp -103.76 116.71 32.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 m -103.29 154.5 19.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.997 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.403 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 8.9 t-20 48.14 84.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.426 ' CD ' ' HB2' ' A' ' 78' ' ' ALA . 0.0 OUTLIER 167.59 70.71 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -23.38 13.82 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.504 1.792 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.32 -37.32 60.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.426 ' HB2' ' CD ' ' A' ' 75' ' ' GLU . . . -42.58 130.04 4.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.1 mmt-85 -112.93 -23.84 9.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.8 p -143.41 152.53 41.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.965 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -156.69 158.07 36.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.443 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 14.8 tt0 -88.14 146.84 25.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.744 HG13 ' CB ' ' A' ' 70' ' ' HIS . 3.8 t -119.38 92.99 46.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -164.42 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.51 ' O ' HD23 ' A' ' 86' ' ' LEU . 8.0 t0 43.88 67.46 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.859 HD12 HG13 ' A' ' 34' ' ' VAL . 11.7 mt -118.63 150.65 39.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -86.44 113.68 53.77 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.425 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.4 Cg_endo -74.97 154.7 42.83 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.519 1.8 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 t80 49.54 38.99 15.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.0 m -146.47 136.26 23.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.418 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 57.6 m -75.25 114.32 13.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 108.339 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.853 ' OH ' HG22 ' A' ' 57' ' ' VAL . 2.0 m-85 -131.76 159.74 37.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.493 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 22.8 p -119.51 171.28 8.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -151.78 143.48 23.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.43 ' NH2' ' CD1' ' A' ' 66' ' ' TRP . 4.3 ptp180 -132.1 -172.46 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.259 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.401 ' HE1' ' CE2' ' A' ' 38' ' ' PHE . 15.3 mmm -137.89 160.29 39.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.418 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 71.2 mtt180 -154.14 148.94 26.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.494 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -117.56 127.9 54.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 1.047 HG22 ' OG1' ' A' ' 104' ' ' THR . 59.2 t -120.97 130.36 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 43.0 p30 -135.02 -179.93 5.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.22 -16.77 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 16' ' ' GLU . 43.7 t -82.17 -79.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.534 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -159.48 -149.16 5.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 1.047 ' OG1' HG22 ' A' ' 99' ' ' VAL . 1.0 OUTLIER -125.66 131.57 52.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.456 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.98 172.05 6.37 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.959 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 174.01 13.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.418 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.5 Cg_endo -75.02 137.82 22.18 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.502 1.79 . . . . 0.0 111.046 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 t -94.03 156.64 16.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.76 136.52 2.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 151.14 38.97 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.487 1.783 . . . . 0.0 111.047 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.0 p -76.92 140.82 40.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.961 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 65.3 mtt-85 -39.39 155.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 115.26 7.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.474 ' HB ' HD13 ' A' ' 29' ' ' ILE . 2.0 pp -110.3 177.01 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -128.27 127.0 41.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 110.317 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.425 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 21.9 p -84.58 146.1 27.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.431 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 33.0 mt -68.99 173.32 5.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -74.98 147.79 34.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.489 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -74.93 167.42 27.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.74 ' O ' HG21 ' A' ' 102' ' ' VAL . 74.6 mm-40 -122.4 -176.33 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.504 HD21 ' CA ' ' A' ' 103' ' ' GLY . 7.7 mt -84.99 151.06 56.82 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.2 Cg_endo -75.0 -162.45 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.54 164.7 21.66 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 118.29 5.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.66 19.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.772 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.9 p -111.46 -166.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.382 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 62.19 36.46 14.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.26 132.12 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.575 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -153.3 147.55 17.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.667 HG22 ' CG1' ' A' ' 29' ' ' ILE . 22.8 mm -101.32 116.27 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.6 p -128.07 167.64 16.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 109.969 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 41.69 53.18 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.667 ' CG1' HG22 ' A' ' 26' ' ' ILE . 6.2 mt -70.47 100.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.42 ' H ' HG12 ' A' ' 34' ' ' VAL . . . -82.91 -165.66 37.85 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -55.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -123.21 -1.63 8.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.16 129.8 34.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.835 HG13 HD12 ' A' ' 86' ' ' LEU . 3.2 m -133.39 168.54 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.7 m -114.64 131.77 56.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -114.19 126.12 54.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -104.34 146.63 28.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -165.71 -169.77 1.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtt85 -147.58 131.8 8.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 101.47 1.47 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.52 -77.93 0.15 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 4.3 t80 -125.49 108.01 11.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -59.41 -40.2 85.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.79 34.52 3.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt 59.2 31.47 21.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 0.736 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.4 t -166.31 128.59 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.8 p -53.5 149.06 8.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 109.99 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.46 HG13 ' CH2' ' A' ' 51' ' ' TRP . 10.8 mm -75.04 136.68 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 t -83.63 -39.75 19.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.456 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -166.87 141.53 4.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.46 ' CH2' HG13 ' A' ' 48' ' ' ILE . 5.8 m95 -97.44 142.72 28.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 108.014 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.908 ' HG ' HD13 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -109.04 136.77 48.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.435 ' O ' HD12 ' A' ' 68' ' ' LEU . 46.9 t -129.61 105.02 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -101.87 159.68 15.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.607 ' HB3' HG21 ' A' ' 69' ' ' ILE . . . -148.55 164.32 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.438 ' CD ' ' NE1' ' A' ' 66' ' ' TRP . 2.0 tt0 -122.87 138.25 54.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.825 HG22 ' OH ' ' A' ' 92' ' ' TYR . 28.3 t -77.47 125.85 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.956 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.98 -95.86 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.542 1.151 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' VAL . 3.1 p -39.99 101.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.557 0.798 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 58' ' ' GLY . 78.2 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.523 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 7.0 m95 -116.59 108.46 15.98 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 67' ' ' LEU . 12.1 mt -99.37 155.49 17.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.908 HD13 ' HG ' ' A' ' 52' ' ' LEU . 13.0 tp -75.32 154.2 37.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.607 HG21 ' HB3' ' A' ' 55' ' ' ALA . 2.2 pt -135.7 -48.31 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.704 ' CB ' HG13 ' A' ' 83' ' ' VAL . 85.7 t60 -127.19 147.4 50.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.621 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.631 ' OE1' HD21 ' A' ' 68' ' ' LEU . 15.6 pt20 -156.17 123.21 5.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 29.9 tp -103.6 114.85 29.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.5 133.92 45.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 t30 68.65 83.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.67 71.03 0.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 1.05 8.17 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -127.18 38.48 4.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -110.56 79.73 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -54.75 -30.31 56.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.097 . . . . 0.0 110.269 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.9 p -143.3 174.31 10.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.1 ptp -168.35 160.35 11.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 111.051 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.532 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 13.8 tt0 -87.55 139.3 30.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.704 HG13 ' CB ' ' A' ' 70' ' ' HIS . 6.2 t -113.45 94.35 31.37 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -165.46 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 40.42 72.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.835 HD12 HG13 ' A' ' 34' ' ' VAL . 76.3 mt -122.97 149.9 43.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -86.26 117.45 68.71 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 151.52 39.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 46.5 44.03 12.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 98.0 m -147.41 139.64 24.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 41.4 m -76.57 126.38 30.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 108.259 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.825 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.9 m-85 -144.83 164.86 29.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.569 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 1.6 t -119.51 173.65 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 93' ' ' SER . 54.3 m-85 -157.1 132.37 9.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.523 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -122.47 -167.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 18.9 mmm -143.25 158.2 43.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -159.39 154.21 24.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.46 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 62.5 mt-30 -118.56 141.61 48.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.529 HG22 ' OG1' ' A' ' 104' ' ' THR . 21.6 t -128.8 126.13 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -134.18 -179.5 5.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -61.06 -13.13 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.74 HG21 ' O ' ' A' ' 16' ' ' GLU . 64.9 t -83.07 -82.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.504 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -159.11 -168.03 20.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.529 ' OG1' HG22 ' A' ' 99' ' ' VAL . 1.0 OUTLIER -108.33 115.22 29.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.733 . . . . 0.0 110.369 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.86 169.08 0.93 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.952 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 174.25 13.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 140.15 25.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.554 1.818 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.8 p -94.02 161.7 14.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -44.91 129.39 5.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.97 41.43 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.5 p -83.86 154.83 23.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -53.85 159.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.61 126.22 29.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.3 pp -117.55 164.66 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.62 113.49 22.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 42.3 p -72.55 153.78 41.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 110.364 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.406 HD12 ' HA2' ' A' ' 30' ' ' GLY . 14.1 mt -64.55 179.45 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -74.96 147.87 34.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.484 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -75.06 164.99 32.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.885 ' O ' HG21 ' A' ' 102' ' ' VAL . 55.4 mt-10 -115.62 175.61 5.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.526 HD21 ' HA3' ' A' ' 103' ' ' GLY . 11.1 mt -76.73 154.33 83.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.3 Cg_endo -75.0 -169.72 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.556 1.819 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 42' ' ' TYR . . . -124.33 163.87 17.94 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.58 6.13 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.433 1.754 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 142.56 27.87 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.554 1.818 . . . . 0.0 110.961 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 p -118.33 -168.7 1.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 60.12 36.03 21.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 96' ' ' MET . 0.1 OUTLIER -75.39 147.53 39.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.57 135.88 2.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.523 ' CD1' ' CB ' ' A' ' 111' ' ' SER . 5.3 mp -104.33 131.38 53.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.789 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.8 p -132.99 165.6 24.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 54.26 46.13 25.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.481 HD13 ' HB ' ' A' ' 114' ' ' ILE . 49.7 mt -64.19 113.61 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.91 -160.79 36.87 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -52.75 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -129.07 13.21 6.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -145.75 142.89 29.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.967 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.738 HG13 HD12 ' A' ' 86' ' ' LEU . 1.5 m -146.38 172.36 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 26' ' ' ILE . 28.3 m -112.45 122.42 47.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.365 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.467 HD11 ' HB3' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -102.77 125.09 49.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -107.04 156.06 19.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.409 ' CE2' ' HE1' ' A' ' 96' ' ' MET . 24.1 p90 -175.53 -170.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -155.92 133.85 6.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 112.8 3.65 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.527 1.804 . . . . 0.0 111.03 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.08 -72.89 0.92 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t80 -127.72 98.41 5.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.789 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.27 -51.18 59.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.0 50.71 0.67 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt 48.41 36.17 6.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 t -172.28 138.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 m -68.97 150.74 47.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.571 HG13 ' CH2' ' A' ' 51' ' ' TRP . 4.8 mm -72.14 137.89 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.26 -31.31 23.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.029 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -170.69 140.55 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.571 ' CH2' HG13 ' A' ' 48' ' ' ILE . 14.4 m95 -97.47 130.04 44.61 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.799 ' HG ' HD13 ' A' ' 68' ' ' LEU . 2.7 tp -99.94 138.15 37.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.5 t -128.27 105.07 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.464 ' OE2' ' CZ ' ' A' ' 97' ' ' ARG . 35.5 mt-10 -98.48 172.85 7.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -166.06 162.57 17.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.544 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -121.75 144.64 48.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.925 HG22 ' OH ' ' A' ' 92' ' ' TYR . 49.3 t -79.05 129.56 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.929 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.26 -96.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' VAL . 73.6 t -40.07 115.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.929 HG23 ' O ' ' A' ' 58' ' ' GLY . 97.4 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.544 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 8.8 m95 -110.06 120.18 41.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 107.991 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.1 mt -109.26 157.82 18.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.799 HD13 ' HG ' ' A' ' 52' ' ' LEU . 1.1 tp -74.84 149.96 39.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.512 HG21 ' HB3' ' A' ' 55' ' ' ALA . 4.3 pt -133.95 -43.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.741 ' CB ' HG13 ' A' ' 83' ' ' VAL . 69.4 t60 -135.42 144.02 46.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.598 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.63 HE21 HD21 ' A' ' 68' ' ' LEU . 3.9 pt20 -146.8 129.61 16.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.502 HD21 ' CB ' ' A' ' 78' ' ' ALA . 31.7 tp -104.14 106.42 16.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 m -96.08 146.26 24.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 50.46 82.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.405 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 169.74 66.58 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.24 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.46 8.89 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.66 54.77 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.502 ' CB ' HD21 ' A' ' 72' ' ' LEU . . . -127.27 99.72 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.44 ' NH1' ' HB2' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -64.7 -36.51 84.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.4 p -143.41 170.77 15.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -164.91 157.59 16.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.459 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 19.5 tt0 -85.01 138.67 32.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.741 HG13 ' CB ' ' A' ' 70' ' ' HIS . 10.9 t -113.74 94.19 31.91 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -165.49 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.804 . . . . 0.0 111.035 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.2 t70 40.41 75.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.738 HD12 HG13 ' A' ' 34' ' ' VAL . 36.7 mt -126.87 153.78 45.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -87.28 113.79 55.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.411 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.4 Cg_endo -74.98 153.25 41.73 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.8 t80 48.39 40.98 15.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.8 m -147.44 139.31 24.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 33.1 m -74.52 131.66 41.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 108.347 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.925 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.8 m-85 -151.2 163.46 38.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.549 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 4.5 t -119.58 175.5 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 93' ' ' SER . 54.7 m-85 -157.25 135.7 11.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.428 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -129.07 -176.25 3.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.439 ' HB2' HD11 ' A' ' 24' ' ' LEU . 15.2 mmm -133.86 160.31 38.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.464 ' CZ ' ' OE2' ' A' ' 54' ' ' GLU . 59.1 mtt180 -156.48 157.41 35.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.254 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.408 ' HB2' ' CG ' ' A' ' 18' ' ' PRO . 38.9 mt-30 -123.53 131.5 53.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.968 HG22 ' OG1' ' A' ' 104' ' ' THR . 90.0 t -121.35 124.11 71.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.8 p30 -132.89 -179.31 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.95 -13.41 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.885 HG21 ' O ' ' A' ' 16' ' ' GLU . 20.1 t -82.03 -71.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.526 ' HA3' HD21 ' A' ' 17' ' ' LEU . . . -166.02 -149.69 6.01 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.557 1.161 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.968 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -125.29 111.02 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 0.0 110.385 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 p -50.39 162.89 0.49 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.99 13.57 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.408 ' HB2' ' NH1' ' A' ' 95' ' ' ARG . 18.4 Cg_endo -74.96 137.54 21.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.9 t -94.26 158.75 15.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -39.81 132.47 1.44 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.17 43.0 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.523 ' CB ' ' CD1' ' A' ' 26' ' ' ILE . 80.7 p -77.17 163.8 26.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.43 ' O ' HG23 ' A' ' 114' ' ' ILE . 2.6 mtt-85 -65.63 162.41 18.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.403 ' HE2' HG11 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -65.68 116.24 6.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.481 ' HB ' HD13 ' A' ' 29' ' ' ILE . 1.3 pp -111.4 179.22 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -138.98 125.94 21.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 32.7 p -85.4 149.83 25.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 23.7 mt -71.96 176.24 5.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 -179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.731 HG13 ' HD2' ' A' ' 14' ' ' PRO . 59.9 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.731 ' HD2' HG13 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.93 148.05 35.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.468 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.1 Cg_endo -75.08 163.53 34.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.794 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 83.0 mt-10 -122.38 174.55 6.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.497 HD21 ' CA ' ' A' ' 103' ' ' GLY . 8.4 mt -76.91 151.48 82.1 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.432 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.0 Cg_endo -75.05 -161.88 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.42 167.1 21.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 120.75 6.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.777 . . . . 0.0 111.04 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 142.72 28.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.5 p -118.87 -166.15 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.413 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 m120 65.28 18.11 11.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.498 HD11 ' HG3' ' A' ' 96' ' ' MET . 0.2 OUTLIER -63.69 125.75 25.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.02 150.98 23.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.559 HD13 ' HG ' ' A' ' 36' ' ' LEU . 5.0 mm -108.04 112.96 42.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.0 m -129.09 171.92 11.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 44.7 46.07 8.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.503 HG12 HD13 ' A' ' 114' ' ' ILE . 7.3 mt -60.14 116.36 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.601 ' H ' HG12 ' A' ' 34' ' ' VAL . . . -101.08 -167.27 28.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -67.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.475 1.776 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -116.17 12.99 15.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.28 130.28 11.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.734 HG13 HD12 ' A' ' 86' ' ' LEU . 2.1 m -130.71 178.75 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.4 m -118.31 110.88 18.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.408 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.579 HD11 ' CB ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -93.69 116.92 29.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -96.26 148.92 22.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.534 ' CG ' ' SD ' ' A' ' 96' ' ' MET . 5.7 p90 -166.51 -170.58 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -153.74 131.44 6.22 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 105.09 2.02 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.41 -93.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 6.0 t80 -107.13 104.72 14.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 0.804 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -54.01 -42.89 69.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.4 31.73 3.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt 63.1 28.12 15.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 t -165.87 127.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.6 p -48.95 165.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.965 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.557 HG13 ' CH2' ' A' ' 51' ' ' TRP . 5.4 mm -85.66 145.04 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 p -95.1 -41.05 9.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.477 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -164.16 143.98 7.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.557 ' CH2' HG13 ' A' ' 48' ' ' ILE . 18.3 m95 -99.17 139.78 34.32 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.887 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -111.57 129.65 56.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.7 t -121.24 104.91 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -101.43 161.51 13.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.534 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -163.6 163.72 24.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.547 ' O ' ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -121.51 160.82 23.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.27 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.832 HG22 ' OH ' ' A' ' 92' ' ' TYR . 45.8 t -97.51 132.14 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.928 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 37.71 -95.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' VAL . 73.3 t -42.57 118.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.928 HG23 ' O ' ' A' ' 58' ' ' GLY . 81.5 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.532 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 5.4 m95 -117.38 121.98 42.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.026 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mt -109.2 151.9 25.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.887 HD13 ' HG ' ' A' ' 52' ' ' LEU . 7.4 tp -76.05 151.44 37.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.458 ' CG1' ' N ' ' A' ' 70' ' ' HIS . 1.1 pt -133.98 -49.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CB ' HG13 ' A' ' 83' ' ' VAL . 51.6 t60 -123.07 154.53 38.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.591 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.592 ' OE1' HD21 ' A' ' 68' ' ' LEU . 15.0 pt20 -162.29 125.3 2.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.262 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 73' ' ' SER . 43.2 tp -103.4 130.53 50.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.484 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.6 OUTLIER -54.9 -166.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.987 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.484 ' C ' ' O ' ' A' ' 73' ' ' SER . 1.7 m120 -34.38 -87.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' ASN . 0.1 OUTLIER 38.03 69.2 1.53 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.67 11.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -110.56 33.54 4.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.14 108.04 12.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.478 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -86.18 -25.81 25.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.0 p -143.14 159.82 41.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.436 ' HE1' ' HB2' ' A' ' 51' ' ' TRP . 4.8 ptp -155.36 157.94 37.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -86.11 138.28 32.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.567 HG13 ' CB ' ' A' ' 70' ' ' HIS . 3.8 t -114.08 93.4 30.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -165.87 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.442 1.759 . . . . 0.0 111.031 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.583 ' O ' HD23 ' A' ' 86' ' ' LEU . 51.2 m-20 44.43 66.95 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.734 HD12 HG13 ' A' ' 34' ' ' VAL . 31.5 mt -122.2 153.73 38.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.467 ' OD1' ' CZ ' ' A' ' 92' ' ' TYR . 4.1 m120 -85.78 115.45 61.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.432 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.4 Cg_endo -75.0 142.61 28.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.8 t80 56.73 42.7 26.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.7 m -147.85 141.34 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.382 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 64.3 m -74.28 128.36 35.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 108.32 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.832 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.7 m-85 -146.69 150.15 34.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.534 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -119.23 150.02 40.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.579 ' CB ' HD11 ' A' ' 36' ' ' LEU . 56.1 m-85 -134.19 157.28 46.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.532 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 5.8 ptp180 -139.45 -167.53 2.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.534 ' SD ' ' CG ' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -137.93 159.44 42.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -159.01 143.65 15.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.542 ' HG2' HD12 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -114.32 146.62 40.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.905 HG22 ' OG1' ' A' ' 104' ' ' THR . 59.3 t -136.3 130.51 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 36.3 p-10 -135.23 -178.84 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.407 ' O ' HG13 ' A' ' 101' ' ' ILE . 0.6 OUTLIER -59.38 -14.59 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.238 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 15' ' ' PRO . 96.5 t -81.97 -82.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.497 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -151.66 -158.68 8.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.905 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -118.48 101.33 8.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 0.737 . . . . 0.0 110.399 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.8 163.69 0.14 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.82 13.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.03 28.48 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 t -94.74 169.98 9.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.13 134.3 68.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 153.04 41.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.44 1.758 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.4 p -79.78 158.06 26.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.5 ptt-85 -56.04 155.54 6.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.75 120.13 13.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.503 HD13 HG12 ' A' ' 29' ' ' ILE . 1.9 pp -112.98 173.45 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -127.47 108.38 10.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.432 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 60.8 p -65.37 163.47 15.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 36.1 mt -73.56 175.16 7.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -75.0 148.26 35.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.536 1.809 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.464 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.4 Cg_endo -74.95 171.39 18.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.733 ' O ' HG21 ' A' ' 102' ' ' VAL . 42.3 mt-10 -127.18 176.65 7.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.587 HD21 ' CA ' ' A' ' 103' ' ' GLY . 9.6 mt -76.55 153.07 83.59 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.447 ' CG ' ' HB2' ' A' ' 98' ' ' GLN . 18.3 Cg_endo -74.99 -171.91 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.495 1.787 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 42' ' ' TYR . . . -123.29 163.62 16.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 128.15 11.28 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.473 1.775 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 146.71 32.97 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.2 p -114.13 -175.61 2.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 m120 60.89 35.76 19.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.18 132.65 44.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -172.4 139.69 5.38 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.496 ' CD1' ' CB ' ' A' ' 111' ' ' SER . 4.9 mp -108.59 129.94 62.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.488 0.758 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.9 p -129.57 171.42 12.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.041 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 48.44 42.59 18.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.464 HG13 HG22 ' A' ' 26' ' ' ILE . 6.9 mt -56.38 112.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.13 -166.68 42.3 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -50.91 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -129.55 14.98 6.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.83 138.39 19.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.046 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.712 HG13 HD12 ' A' ' 86' ' ' LEU . 2.7 m -139.01 171.69 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 m -111.53 111.08 21.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.393 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 94' ' ' PHE . 3.1 tt -96.04 113.58 25.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -97.61 156.34 16.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.456 ' CG ' ' SD ' ' A' ' 96' ' ' MET . 5.4 p90 -173.41 -176.16 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.457 ' HG2' ' CD ' ' A' ' 79' ' ' ARG . 8.1 mtp180 -147.0 129.65 7.83 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 103.16 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.457 1.767 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.54 -70.41 1.05 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' GLY . 28.3 t80 -134.09 112.39 11.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.93 -44.7 79.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.17 20.55 5.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt 66.86 26.26 9.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 109.275 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.651 ' O ' HG23 ' A' ' 46' ' ' THR . 0.6 OUTLIER -151.13 24.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.397 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.53 ' O ' HD13 ' A' ' 48' ' ' ILE . 0.8 OUTLIER 42.91 -166.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.987 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.57 HG13 ' CH2' ' A' ' 51' ' ' TRP . 14.9 mm -112.84 148.0 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.9 p -101.24 -23.31 14.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.969 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.422 ' NH1' ' HG3' ' A' ' 71' ' ' GLN . 4.3 ttm-85 -171.17 144.54 2.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CH2' HG13 ' A' ' 48' ' ' ILE . 24.1 m95 -106.83 119.49 39.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 107.972 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.956 ' HG ' HD13 ' A' ' 68' ' ' LEU . 5.2 tp -98.28 143.59 28.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.449 ' O ' HD12 ' A' ' 68' ' ' LEU . 20.4 t -133.69 109.75 13.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.22 166.19 10.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.567 ' HB3' HG21 ' A' ' 69' ' ' ILE . . . -159.92 163.62 34.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CD ' ' NE1' ' A' ' 66' ' ' TRP . 2.7 mt-30 -118.57 147.99 43.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.507 HG13 ' OH ' ' A' ' 92' ' ' TYR . 37.9 t -86.84 133.03 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.928 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.35 -98.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.099 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 57' ' ' VAL . 8.7 p -44.55 118.85 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 0.724 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.928 HG23 ' O ' ' A' ' 58' ' ' GLY . 68.4 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.481 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 7.5 m95 -117.58 115.23 24.7 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -104.08 156.01 18.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.956 HD13 ' HG ' ' A' ' 52' ' ' LEU . 3.0 tp -74.07 157.42 36.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.567 HG21 ' HB3' ' A' ' 55' ' ' ALA . 5.5 pt -137.54 -45.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.917 ' HB2' HG13 ' A' ' 83' ' ' VAL . 54.2 t60 -132.3 133.49 44.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.595 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.497 ' CD ' HD21 ' A' ' 68' ' ' LEU . 5.5 pt20 -136.22 126.49 26.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.428 HD11 ' OE2' ' A' ' 75' ' ' GLU . 22.5 tp -107.87 131.92 53.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.475 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.6 OUTLIER -55.56 -166.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.965 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.475 ' C ' ' O ' ' A' ' 73' ' ' SER . 1.2 m120 -35.14 -83.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.428 ' OE2' HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER 36.58 67.98 1.58 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.274 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.13 9.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.517 1.799 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -116.12 48.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.69 120.2 19.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.457 ' CD ' ' HG2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -97.88 -27.68 14.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -143.19 162.85 34.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.981 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.3 ptp -164.23 159.14 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.415 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 13.4 tt0 -83.29 138.64 33.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.917 HG13 ' HB2' ' A' ' 70' ' ' HIS . 15.8 t -114.24 94.4 35.01 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -164.79 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.801 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 42.59 72.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.712 HD12 HG13 ' A' ' 34' ' ' VAL . 45.8 mt -126.36 152.82 45.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.45 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 9.9 m120 -88.35 113.4 55.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.501 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -75.0 147.93 34.6 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.461 1.769 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.0 t80 56.01 38.42 29.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.8 m -143.27 138.48 29.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.39 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.6 m -74.5 122.69 23.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 108.324 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.507 ' OH ' HG13 ' A' ' 57' ' ' VAL . 3.4 m-85 -143.65 159.95 41.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.555 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -119.62 177.78 4.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 93' ' ' SER . 53.2 m-85 -157.28 138.73 13.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.481 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 4.9 ptp180 -127.73 -168.23 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.456 ' SD ' ' CG ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -135.4 163.48 29.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -167.98 138.01 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.484 ' HB3' HD12 ' A' ' 48' ' ' ILE . 26.3 mt-30 -114.04 134.95 54.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 1.019 HG22 ' OG1' ' A' ' 104' ' ' THR . 33.3 t -120.6 128.96 76.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.145 . . . . 0.0 109.239 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.464 ' HB2' ' CG2' ' A' ' 46' ' ' THR . 32.9 p-10 -135.26 -179.7 5.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.224 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.424 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -57.79 -16.26 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.733 HG21 ' O ' ' A' ' 16' ' ' GLU . 40.6 t -81.85 -74.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.587 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -167.82 -148.67 5.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 1.019 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -126.05 123.32 38.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 110.407 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.94 170.36 2.66 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 173.49 14.4 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.37 22.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 109' ' ' GLN . 1.7 t -93.99 156.19 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.933 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -38.6 132.81 1.04 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 156.61 43.36 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.496 ' CB ' ' CD1' ' A' ' 26' ' ' ILE . 42.5 p -75.44 166.09 24.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 114' ' ' ILE . 8.1 mtt180 -67.7 160.31 28.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.32 111.28 2.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.466 HG23 ' O ' ' A' ' 112' ' ' ARG . 1.8 pp -107.68 179.24 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -141.07 109.76 6.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 30.1 p -65.2 152.91 42.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 20.6 mt -72.52 177.27 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.443 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 22.9 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.443 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.04 147.76 34.22 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.802 . . . . 0.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.504 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -74.97 165.01 32.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.791 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.904 ' O ' HG21 ' A' ' 102' ' ' VAL . 26.9 mt-10 -118.58 175.62 5.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.554 HD21 ' CA ' ' A' ' 103' ' ' GLY . 10.9 mt -76.71 153.56 83.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -171.53 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -123.89 163.08 17.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 111.065 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.95 5.86 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.545 1.813 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 146.97 33.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.801 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.5 p -117.35 -166.12 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 110.377 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 m120 62.95 30.68 16.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.49 HD11 ' HG3' ' A' ' 96' ' ' MET . 0.1 OUTLIER -73.92 136.71 43.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -160.36 142.31 8.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.543 HG22 HD11 ' A' ' 29' ' ' ILE . 10.2 mm -103.59 109.14 26.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.4 p -127.05 168.67 14.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 50.2 50.26 18.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.616 HD13 HD13 ' A' ' 114' ' ' ILE . 64.1 mt -73.4 110.06 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.04 -154.23 30.97 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -69.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -117.45 18.97 14.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.433 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 1.4 m -148.26 146.41 28.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.755 HG13 HD12 ' A' ' 86' ' ' LEU . 1.5 m -151.16 156.76 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.1 m -97.15 127.79 43.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.578 HD11 ' HB3' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -108.12 121.07 44.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -105.41 144.59 31.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.595 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 4.2 p90 -165.53 -172.52 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -148.26 130.33 7.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 112.21 3.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.811 . . . . 0.0 111.046 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.67 -81.95 0.25 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -119.34 108.51 14.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -52.88 63.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.03 36.69 1.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt 56.28 32.39 20.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 46' ' ' THR . 15.2 t -173.18 113.35 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.7 p -41.17 158.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.545 HG13 ' CH2' ' A' ' 51' ' ' TRP . 10.4 mm -81.9 146.65 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.8 m -92.26 -33.31 14.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.963 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.562 ' NH1' HD13 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -170.45 138.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.545 ' CH2' HG13 ' A' ' 48' ' ' ILE . 12.8 m95 -93.04 136.92 32.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 107.979 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.832 ' HG ' HD13 ' A' ' 68' ' ' LEU . 2.7 tp -103.06 148.0 26.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.6 t -137.78 106.41 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -101.46 163.82 12.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.575 ' HB3' HG21 ' A' ' 69' ' ' ILE . . . -158.76 164.88 35.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.574 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -126.25 130.55 51.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 59' ' ' VAL . 48.6 t -67.95 132.79 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.741 ' O ' HG12 ' A' ' 60' ' ' VAL . . . 36.55 -96.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 59' ' ' VAL . 7.3 p -44.98 105.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.979 HG21 ' HB2' ' A' ' 93' ' ' SER . 2.8 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.574 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 6.9 m95 -123.03 136.2 54.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 107.984 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 66' ' ' TRP . 17.3 mt -120.17 160.62 22.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.832 HD13 ' HG ' ' A' ' 52' ' ' LEU . 1.6 tp -75.22 151.35 38.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.63 HD11 HG11 ' A' ' 83' ' ' VAL . 5.4 pt -134.11 -44.32 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.53 ' HB2' HG13 ' A' ' 83' ' ' VAL . 16.7 t60 -139.25 148.35 42.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.578 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.78 ' NE2' HD21 ' A' ' 68' ' ' LEU . 5.2 pt20 -147.33 134.66 20.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.461 HD11 ' CD ' ' A' ' 75' ' ' GLU . 51.6 tp -105.01 105.2 15.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.0 m -95.1 152.32 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.025 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.3 t30 45.04 75.56 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.461 ' CD ' HD11 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 177.0 64.96 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -10.5 21.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -102.34 39.84 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.435 ' CB ' HD21 ' A' ' 72' ' ' LEU . . . -117.75 115.12 24.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.505 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 1.7 tpt180 -87.0 -31.05 20.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.4 p -143.07 161.97 36.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.4 ptp -159.95 159.7 32.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -89.67 141.99 28.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.36 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.63 HG11 HD11 ' A' ' 69' ' ' ILE . 11.3 t -115.54 93.8 37.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -162.85 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.0 t70 45.09 63.46 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.755 HD12 HG13 ' A' ' 34' ' ' VAL . 21.1 mt -119.18 146.07 45.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.424 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 3.5 m-80 -85.99 121.31 72.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.434 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.2 Cg_endo -75.03 157.52 42.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.1 t80 47.75 41.61 14.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.2 m -147.58 134.74 20.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.406 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 55.9 m -74.38 119.83 19.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 87' ' ' ASN . 2.5 m-85 -133.81 158.39 43.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.979 ' HB2' HG21 ' A' ' 60' ' ' VAL . 6.5 t -119.22 172.46 7.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.952 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.578 ' HB3' HD11 ' A' ' 36' ' ' LEU . 56.8 m-85 -157.02 139.99 15.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.37 -167.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.595 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -136.67 162.24 33.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 96' ' ' MET . 12.1 mtt180 -168.15 147.53 4.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.246 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.412 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 72.7 mt-30 -113.85 142.86 45.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.953 HG22 ' OG1' ' A' ' 104' ' ' THR . 43.7 t -129.33 118.96 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.7 p30 -129.55 179.75 5.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.419 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.4 OUTLIER -59.39 -14.98 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.904 HG21 ' O ' ' A' ' 16' ' ' GLU . 21.3 t -80.92 -66.14 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.554 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -177.82 -156.27 16.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.953 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -120.72 112.9 19.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 110.43 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.42 171.87 0.2 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.986 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.34 12.95 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.528 1.804 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.87 17.06 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 t -93.89 154.69 17.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.047 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.61 126.65 1.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.534 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 18.2 Cg_endo -75.03 155.68 42.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.9 p -75.11 143.78 43.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -47.86 175.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -78.08 134.74 37.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.373 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.616 HD13 HD13 ' A' ' 29' ' ' ILE . 1.8 pp -131.49 179.69 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -131.55 123.91 28.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.434 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 41.4 p -83.73 149.94 26.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 48.6 mt -69.44 171.96 7.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.1 Cg_endo -75.0 147.88 34.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.81 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.489 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.03 164.72 32.73 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.477 1.777 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.916 ' O ' HG21 ' A' ' 102' ' ' VAL . 84.8 mt-10 -116.3 175.0 5.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.539 HD21 ' HA3' ' A' ' 103' ' ' GLY . 11.5 mt -76.94 153.63 82.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.2 Cg_endo -75.03 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.14 167.72 24.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 119.54 5.68 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.27 26.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.0 p -117.42 -167.57 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.379 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.0 m120 59.91 26.07 15.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.816 HD11 ' HB2' ' A' ' 96' ' ' MET . 0.1 OUTLIER -65.89 144.19 56.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -176.89 133.7 2.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.496 ' CD1' ' CB ' ' A' ' 111' ' ' SER . 4.9 mp -103.2 132.15 50.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.7 m -125.61 170.3 11.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 42.56 54.26 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.728 HD13 HD13 ' A' ' 114' ' ' ILE . 44.3 mt -64.42 108.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 33' ' ' SER . . . -83.0 -172.54 48.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -52.16 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -120.36 10.32 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.18 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.46 ' O ' ' CA ' ' A' ' 30' ' ' GLY . 4.8 m -150.91 151.3 31.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.712 HG13 HD12 ' A' ' 86' ' ' LEU . 2.9 m -148.5 164.27 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.6 m -103.69 107.19 17.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.4 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' HG ' ' CG1' ' A' ' 26' ' ' ILE . 0.6 OUTLIER -91.3 120.91 32.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -106.57 149.71 26.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.661 ' CD2' ' HE2' ' A' ' 96' ' ' MET . 8.4 p90 -163.1 -173.51 3.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -152.83 133.99 8.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 103.69 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.78 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.83 -61.09 5.19 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.509 1.13 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 1.6 t80 -140.45 92.23 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.552 ' HA ' HD11 ' A' ' 48' ' ' ILE . 7.2 m-20 -51.63 -64.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.92 42.6 0.18 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt 47.22 27.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 0.728 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 47' ' ' SER . 6.8 t -155.19 23.43 0.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.463 ' O ' HD13 ' A' ' 48' ' ' ILE . 7.4 t 43.59 -166.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.552 HD11 ' HA ' ' A' ' 43' ' ' ASP . 29.0 mm -114.54 147.31 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.84 -38.82 8.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.467 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -152.32 143.89 23.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.476 ' CH2' HG13 ' A' ' 48' ' ' ILE . 21.4 m95 -103.32 140.41 37.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 107.989 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.982 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -110.49 133.89 52.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.7 t -128.54 104.67 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.461 ' HB2' ' CG ' ' A' ' 95' ' ' ARG . 5.2 mt-10 -98.58 166.07 11.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.622 ' HB3' HG21 ' A' ' 69' ' ' ILE . . . -156.9 154.29 29.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.412 ' OE1' ' O ' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -118.19 143.8 46.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.832 HG13 ' OH ' ' A' ' 92' ' ' TYR . 28.9 t -86.72 130.96 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.536 ' O ' HG12 ' A' ' 60' ' ' VAL . . . 35.19 -98.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.412 ' O ' ' OE1' ' A' ' 56' ' ' GLN . 3.6 p -45.34 96.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.784 HG21 ' HB2' ' A' ' 93' ' ' SER . 5.5 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.626 ' HG3' HD23 ' A' ' 67' ' ' LEU . 9.5 pt-20 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.611 ' CG ' ' CZ ' ' A' ' 95' ' ' ARG . 6.6 m95 -127.48 99.69 5.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.062 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.626 HD23 ' HG3' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -87.17 154.72 20.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.982 HD13 ' HG ' ' A' ' 52' ' ' LEU . 9.7 tp -76.54 154.5 34.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.622 HG21 ' HB3' ' A' ' 55' ' ' ALA . 0.9 OUTLIER -135.44 -48.69 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.619 ' CB ' HG13 ' A' ' 83' ' ' VAL . 67.7 t60 -126.47 138.29 53.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.553 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.595 ' OE1' HD21 ' A' ' 68' ' ' LEU . 18.3 pt20 -145.61 123.41 11.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 48.4 tp -104.29 117.74 34.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -99.81 156.63 17.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 49.4 t-20 43.55 91.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.436 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER 165.19 69.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -25.02 12.17 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.434 1.755 . . . . 0.0 110.983 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.92 -33.9 59.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.405 ' HB2' ' CD ' ' A' ' 75' ' ' GLU . . . -44.91 125.43 5.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -106.8 -24.87 11.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.4 p -143.33 159.85 41.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -160.96 160.02 30.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -90.87 144.86 25.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.619 HG13 ' CB ' ' A' ' 70' ' ' HIS . 4.3 t -118.86 94.03 47.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -167.52 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.789 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 47.78 69.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.712 HD12 HG13 ' A' ' 34' ' ' VAL . 38.3 mt -127.17 145.44 50.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -86.98 113.64 54.48 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.455 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -74.98 147.35 33.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.9 t80 62.47 39.54 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 52.5 m -147.78 139.37 23.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 60.6 m -75.14 116.91 16.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 108.297 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.832 ' OH ' HG13 ' A' ' 57' ' ' VAL . 3.0 m-85 -136.23 153.99 51.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.784 ' HB2' HG21 ' A' ' 60' ' ' VAL . 1.3 t -119.55 165.19 14.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.412 ' HA ' ' O ' ' A' ' 54' ' ' GLU . 63.5 m-85 -142.72 152.02 41.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.611 ' CZ ' ' CG ' ' A' ' 66' ' ' TRP . 7.9 ptp180 -144.63 143.26 30.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.816 ' HB2' HD11 ' A' ' 24' ' ' LEU . 18.9 mmm -99.05 159.23 15.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -151.35 172.25 16.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.451 ' HB3' HD12 ' A' ' 48' ' ' ILE . 30.0 mt-30 -137.68 133.74 34.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.862 HG22 ' OG1' ' A' ' 104' ' ' THR . 93.0 t -125.85 130.23 72.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.0 p30 -135.54 -179.16 5.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -13.23 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.916 HG21 ' O ' ' A' ' 16' ' ' GLU . 15.5 t -80.82 -72.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.539 ' HA3' HD21 ' A' ' 17' ' ' LEU . . . -161.91 -151.13 6.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.862 ' OG1' HG22 ' A' ' 99' ' ' VAL . 1.1 m -128.76 100.98 5.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 0.738 . . . . 0.0 110.413 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.403 ' OG ' ' HG2' ' A' ' 18' ' ' PRO . 1.4 p -42.44 163.4 0.14 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.985 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.16 13.26 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.555 1.818 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.83 27.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.8 p -94.4 172.59 8.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.64 141.18 84.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 153.17 41.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.496 ' CB ' ' CD1' ' A' ' 26' ' ' ILE . 97.0 p -75.38 165.71 24.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.033 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -59.3 149.73 28.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.93 114.46 4.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.728 HD13 HD13 ' A' ' 29' ' ' ILE . 2.0 pp -117.22 163.65 14.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -119.83 108.7 14.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 9.1 p -57.46 145.7 32.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 53.8 mt -57.99 173.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -166.62 90.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 0.79 . . . . 0.0 109.968 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.6 162.07 2.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.972 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.59 137.23 2.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.541 1.15 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.33 169.64 8.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.1 p -54.49 155.19 4.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.946 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.55 175.99 14.27 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 111.03 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -138.36 153.89 48.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.766 . . . . 0.0 110.376 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 mt -133.47 97.77 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.0 t -166.23 88.65 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.58 -59.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.65 129.69 2.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 p -139.95 127.17 12.59 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 147.53 33.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.78 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.474 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.03 164.98 32.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.812 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.651 ' O ' HG21 ' A' ' 102' ' ' VAL . 57.8 mt-10 -117.18 173.6 6.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.253 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.523 HD21 ' CA ' ' A' ' 103' ' ' GLY . 11.3 mt -78.23 154.63 79.68 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.2 Cg_endo -74.92 -161.97 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.23 171.01 20.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.538 1.149 . . . . 0.0 111.035 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 117.52 4.94 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 141.81 27.17 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.498 1.789 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.2 p -120.22 -166.34 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.2 t30 66.64 30.29 8.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.46 138.06 42.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.58 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -149.54 154.51 25.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.603 HG22 HD11 ' A' ' 29' ' ' ILE . 6.4 mm -118.54 105.42 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.773 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.3 t -130.56 172.68 11.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 48.04 44.03 18.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.603 HD11 HG22 ' A' ' 26' ' ' ILE . 43.3 mt -70.25 106.49 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.377 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.39 -155.07 31.34 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.421 1.076 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -127.44 22.97 6.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -152.6 138.02 17.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.714 HG13 HD12 ' A' ' 86' ' ' LEU . 1.3 m -146.83 156.27 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.9 m -98.11 119.31 36.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.436 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.592 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -105.92 114.77 29.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -89.98 158.4 17.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.405 ' CZ ' ' O ' ' A' ' 78' ' ' ALA . 52.7 p90 -172.29 179.1 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.82 133.4 10.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.3 2.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.7 -77.92 0.35 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.45 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 3.1 t80 -122.57 106.51 11.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 0.757 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.44 -51.74 68.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.15 48.67 0.81 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt 53.67 32.01 13.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -174.16 137.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.411 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.3 p -63.89 164.79 9.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.49 HG13 ' CH2' ' A' ' 51' ' ' TRP . 5.0 mm -81.75 141.96 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.37 -29.38 15.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.946 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.458 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -170.62 141.91 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.49 ' CH2' HG13 ' A' ' 48' ' ' ILE . 8.2 m95 -100.65 139.06 36.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 107.966 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.921 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -107.8 129.53 55.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.2 t -122.38 105.0 15.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 94' ' ' PHE . 57.4 mt-10 -97.97 172.01 7.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -164.35 158.01 18.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.44 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -115.7 162.08 17.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.671 HG22 ' OH ' ' A' ' 92' ' ' TYR . 59.8 t -98.74 134.28 38.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.868 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.23 -96.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.462 1.101 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 57' ' ' VAL . 1.5 p -45.47 118.87 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 58' ' ' GLY . 96.3 t -120.42 81.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -168.01 167.12 39.92 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.77 167.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.15 -50.1 1.92 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -75.75 177.28 7.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.63 157.72 22.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.44 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 7.6 m95 -116.71 120.18 37.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 107.968 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.2 mt -110.2 157.75 19.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.921 HD13 ' HG ' ' A' ' 52' ' ' LEU . 1.2 tp -73.05 150.4 42.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.435 HD13 ' CB ' ' A' ' 55' ' ' ALA . 1.8 pt -136.06 -44.1 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CB ' HG13 ' A' ' 83' ' ' VAL . 79.5 t60 -131.73 140.0 49.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.592 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.653 ' HB3' HD11 ' A' ' 68' ' ' LEU . 14.6 pt20 -147.44 126.45 12.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.453 HD21 ' HB3' ' A' ' 75' ' ' GLU . 38.9 tp -103.84 109.17 20.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.81 145.77 27.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 32.0 t30 55.24 74.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.453 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 176.11 65.23 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -0.32 9.83 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.67 49.49 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.405 ' O ' ' CZ ' ' A' ' 38' ' ' PHE . . . -127.79 95.79 4.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.1 -34.89 77.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.1 t -143.47 169.01 18.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.953 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.8 ptp -162.94 160.32 24.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.961 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.45 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 20.1 tt0 -87.18 143.42 27.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.582 HG12 HD21 ' A' ' 86' ' ' LEU . 11.3 t -114.23 93.68 31.97 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -172.56 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.487 ' O ' HD23 ' A' ' 86' ' ' LEU . 4.0 m-20 48.78 67.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.714 HD12 HG13 ' A' ' 34' ' ' VAL . 39.8 mt -119.5 150.43 40.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -87.49 115.78 63.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.419 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.2 Cg_endo -75.04 155.09 42.73 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.3 t80 48.83 41.48 18.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.7 m -147.59 135.08 20.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 57.3 m -75.14 116.0 15.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.298 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.671 ' OH ' HG22 ' A' ' 57' ' ' VAL . 3.1 m-85 -135.81 161.83 34.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.47 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 15.4 t -119.52 173.37 7.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.031 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.464 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 86.5 m-85 -153.88 144.59 22.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.404 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -133.23 -169.04 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.354 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 14.6 mmm -140.57 160.03 40.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.404 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 33.5 mtt180 -157.59 149.46 22.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -114.76 140.64 48.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.921 HG22 ' OG1' ' A' ' 104' ' ' THR . 21.5 t -130.41 128.11 63.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.2 p-10 -135.57 179.55 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.438 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -55.93 -17.62 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.447 1.092 . . . . 0.0 109.234 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.651 HG21 ' O ' ' A' ' 16' ' ' GLU . 93.1 t -78.56 -71.44 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.523 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -175.73 -165.39 31.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.921 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -105.94 125.35 50.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.388 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.41 ' CB ' ' CD ' ' A' ' 106' ' ' PRO . 0.5 OUTLIER -69.42 172.95 4.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.002 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 105' ' ' SER . 18.4 Cg_endo -74.99 173.83 13.83 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.402 ' HB2' ' NH1' ' A' ' 95' ' ' ARG . 18.4 Cg_endo -75.01 139.47 24.3 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 t -94.27 157.09 16.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.13 132.99 1.93 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 155.83 43.15 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.413 ' HB2' ' CG1' ' A' ' 26' ' ' ILE . 14.2 p -79.08 164.87 23.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.98 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -61.85 163.31 7.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -74.21 134.75 42.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 pp -133.96 178.39 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -129.89 118.15 21.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.419 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 23.5 p -73.73 143.44 46.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.426 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 60.2 mt -60.67 171.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -87.09 145.87 26.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 t -95.47 97.29 9.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 149.37 -172.54 29.39 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 132.81 15.77 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.72 80.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 77.4 p -138.89 153.95 48.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.42 157.41 17.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.97 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.03 87.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.67 151.54 23.62 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.2 p -136.19 127.43 28.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -73.45 133.63 43.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.35 159.78 53.56 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.9 p -97.99 97.11 8.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 pt 43.45 -164.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.76 151.29 34.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.052 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.93 -56.06 1.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.138 . . . . 0.0 110.028 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -127.15 81.47 0.35 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.13 125.14 89.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.774 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -75.03 147.78 34.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.503 ' HB2' HG23 ' A' ' 102' ' ' VAL . 18.4 Cg_endo -74.98 164.22 33.81 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.472 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 55.0 mt-10 -123.52 175.0 7.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.519 HD21 ' CA ' ' A' ' 103' ' ' GLY . 8.1 mt -79.46 150.94 74.27 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.575 1.172 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.5 Cg_endo -74.93 -161.49 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.52 169.66 22.24 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.138 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 117.93 5.08 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.547 1.814 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.5 20.5 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.9 p -109.96 -165.77 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.443 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 61.62 31.45 18.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.52 123.84 22.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.57 160.67 23.19 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 1.059 ' CG2' HD11 ' A' ' 29' ' ' ILE . 3.2 mm -132.12 110.83 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.68 169.43 17.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 52.77 52.2 14.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.059 HD11 ' CG2' ' A' ' 26' ' ' ILE . 11.7 mm -74.71 99.57 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.51 -163.3 34.62 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -53.52 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.555 1.818 . . . . 0.0 111.026 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -128.65 18.18 6.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.35 135.95 16.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.835 ' HB ' HD13 ' A' ' 29' ' ' ILE . 2.1 m -142.63 154.77 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.2 m -93.54 134.58 35.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.678 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -118.61 121.25 39.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -105.4 141.43 36.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.579 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 3.2 p90 -158.47 -170.92 3.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -150.54 131.66 7.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 100.01 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.45 -74.34 0.36 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 4.3 t80 -125.91 100.18 6.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 0.765 . . . . 0.0 111.035 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.02 -42.05 62.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.07 31.18 4.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.137 . . . . 0.0 110.976 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt 65.46 32.32 9.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 109.323 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.4 t -174.38 123.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.374 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 p -49.32 155.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.562 HG13 ' CH2' ' A' ' 51' ' ' TRP . 8.0 mm -74.77 139.6 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.11 -32.78 18.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -165.2 137.4 4.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.562 ' CH2' HG13 ' A' ' 48' ' ' ILE . 18.4 m95 -98.48 125.36 43.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 108.024 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.957 ' HG ' HD13 ' A' ' 68' ' ' LEU . 3.6 tp -96.81 144.78 26.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.7 t -134.55 106.11 7.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -101.07 160.14 14.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -157.07 160.16 38.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.521 ' OE1' HG13 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -120.1 138.7 53.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.854 HG22 ' OH ' ' A' ' 92' ' ' TYR . 32.6 t -76.68 134.6 28.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.905 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.98 -96.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.521 HG13 ' OE1' ' A' ' 56' ' ' GLN . 9.9 p -41.81 122.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 58' ' ' GLY . 97.2 t -124.26 85.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -136.55 -150.0 5.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -109.4 -51.9 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -38.3 -40.37 0.89 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.122 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' HB2' ' NE2' ' A' ' 56' ' ' GLN . 19.8 mp0 -77.43 150.6 34.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -86.89 161.48 18.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.592 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 5.8 m95 -114.48 134.69 54.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 108.019 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 66' ' ' TRP . 17.5 mt -118.17 161.07 20.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.957 HD13 ' HG ' ' A' ' 52' ' ' LEU . 2.9 tp -77.65 153.72 32.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.54 HD11 HG11 ' A' ' 83' ' ' VAL . 4.5 pt -135.09 -45.14 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.416 ' N ' HG13 ' A' ' 69' ' ' ILE . 68.3 t60 -133.8 134.67 43.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.622 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.49 ' HB3' HD11 ' A' ' 68' ' ' LEU . 18.8 pt20 -137.62 122.74 19.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 22.7 tp -103.98 113.17 26.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.4 OUTLIER -100.68 160.84 14.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 73' ' ' SER . 0.8 OUTLIER 38.35 81.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.44 66.01 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.86 8.39 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -115.17 49.38 1.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -128.51 88.03 2.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.471 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 17.4 mmm-85 -61.85 -30.59 70.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.5 p -143.45 167.55 21.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.3 ptp -166.55 160.48 15.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -85.43 141.74 29.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.54 HG11 HD11 ' A' ' 69' ' ' ILE . 13.6 t -114.05 93.66 31.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.413 ' HD2' ' ND1' ' A' ' 70' ' ' HIS . 18.3 Cg_endo -75.03 -173.5 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.554 1.818 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 t0 50.25 67.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.744 HD12 HG13 ' A' ' 34' ' ' VAL . 45.3 mt -122.38 146.82 46.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.563 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 3.1 m-80 -86.19 117.9 69.48 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.4 ' HA ' ' CB ' ' A' ' 116' ' ' THR . 18.2 Cg_endo -75.01 154.68 42.61 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 t80 48.34 42.96 18.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 110.98 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 94.8 m -147.35 137.78 23.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 61.5 m -74.67 117.83 16.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 108.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.854 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.2 m-85 -136.25 157.42 46.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.539 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 4.1 t -119.28 172.95 7.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.41 ' CG ' ' C ' ' A' ' 93' ' ' SER . 52.5 m-85 -156.62 141.26 16.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.592 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 8.7 ptp180 -126.72 -167.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.579 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -136.73 163.14 31.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -166.39 143.59 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 104' ' ' THR . 48.1 mt-30 -114.3 149.91 35.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.933 HG22 ' OG1' ' A' ' 104' ' ' THR . 18.9 t -135.82 126.47 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 38.2 p30 -132.17 179.78 5.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.459 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.7 OUTLIER -56.3 -17.95 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.503 HG23 ' HB2' ' A' ' 15' ' ' PRO . 93.3 t -80.86 -75.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.519 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -168.03 -152.45 7.59 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.933 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -118.9 125.99 50.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 0.0 110.406 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.35 172.18 0.64 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 169.35 22.77 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.408 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.0 Cg_endo -75.02 136.56 20.51 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.449 ' OG ' ' N ' ' A' ' 109' ' ' GLN . 3.7 t -93.91 178.11 5.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.449 ' N ' ' OG ' ' A' ' 108' ' ' SER . 0.6 OUTLIER -73.82 148.31 87.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 152.64 40.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.803 . . . . 0.0 111.04 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.2 p -81.15 154.39 26.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.046 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -38.63 145.3 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 137.5 58.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.856 HD13 HD12 ' A' ' 29' ' ' ILE . 2.7 pp -127.45 -174.95 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -145.08 108.28 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.4 ' CB ' ' HA ' ' A' ' 88' ' ' PRO . 11.0 p -60.78 152.05 28.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.422 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 58.4 mt -66.72 179.19 1.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -94.82 141.07 29.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.1 t -91.1 114.64 27.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.98 -166.2 33.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 115.45 4.28 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.535 1.808 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.38 154.99 21.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 42.9 p -166.75 107.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.72 102.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.94 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -172.17 169.08 5.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.018 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.07 164.42 28.4 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.21 167.3 30.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.983 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -136.07 136.55 40.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.97 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.97 167.55 29.42 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.3 p -109.78 57.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.769 . . . . 0.0 110.371 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mt -130.36 -65.99 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.84 83.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 110.006 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.74 136.91 20.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.61 134.01 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 13' ' ' VAL . 2.6 p -72.21 122.32 87.07 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.536 0.786 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -75.0 147.78 34.38 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.46 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -75.08 158.75 41.72 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' O ' HG21 ' A' ' 102' ' ' VAL . 48.2 mt-10 -111.51 -177.51 3.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 17' ' ' LEU . 6.9 mt -85.52 152.35 57.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.3 Cg_endo -75.01 -165.39 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -136.45 169.41 23.77 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.16 5.96 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 155.15 42.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.7 p -124.67 -166.93 1.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 60.8 30.52 19.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.441 HD11 ' HB2' ' A' ' 96' ' ' MET . 0.2 OUTLIER -69.76 130.01 41.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.27 146.47 12.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 mp -115.89 129.91 71.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.0 p -129.86 164.41 24.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 50.62 51.67 16.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.38 107.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.01 -171.35 47.75 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -48.1 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.431 1.753 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -128.61 13.82 6.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.402 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -152.82 147.41 26.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.652 HG13 HD12 ' A' ' 86' ' ' LEU . 1.1 m -148.83 162.68 5.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.245 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.6 m -100.21 110.28 22.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.442 ' CD1' ' HB3' ' A' ' 94' ' ' PHE . 2.9 tt -94.98 111.33 23.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -94.03 156.4 16.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.09 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.586 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 23.0 p90 -169.74 -171.4 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -157.99 134.64 6.51 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 112.44 3.56 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.45 -70.76 1.22 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.453 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 2.0 t80 -125.39 89.44 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 111.04 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -48.62 -53.44 18.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.25 44.03 0.88 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt 56.68 34.71 25.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.769 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -173.86 139.55 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.396 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -68.17 162.61 24.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.569 HG13 ' CH2' ' A' ' 51' ' ' TRP . 6.3 mm -81.58 137.12 21.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 m -87.64 -29.5 21.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.465 ' NH1' HD13 ' A' ' 52' ' ' LEU . 1.2 tmm_? -165.85 136.71 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CH2' HG13 ' A' ' 48' ' ' ILE . 24.9 m95 -97.76 132.19 43.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.906 ' HG ' HD13 ' A' ' 68' ' ' LEU . 2.9 tp -102.28 144.14 31.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.6 t -135.06 105.93 6.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -102.37 162.43 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -159.85 165.1 32.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -125.14 143.24 51.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.678 HG22 ' OH ' ' A' ' 92' ' ' TYR . 42.9 t -79.07 130.25 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.576 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.57 -97.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.552 HG12 ' O ' ' A' ' 61' ' ' GLY . 99.5 t -42.95 97.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 0.0 109.25 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 58' ' ' GLY . 50.6 t -81.57 79.51 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.552 ' O ' HG12 ' A' ' 59' ' ' VAL . . . 111.54 -155.24 16.28 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.14 . . . . 0.0 110.978 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 64.98 96.51 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 0.735 . . . . 0.0 110.319 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 39.19 32.38 0.21 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.448 1.093 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -116.08 143.14 45.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 0.785 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -96.45 167.02 11.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.588 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 11.6 m95 -112.6 119.93 39.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 mt -109.18 157.51 18.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.906 HD13 ' HG ' ' A' ' 52' ' ' LEU . 2.4 tp -75.15 146.78 41.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.596 HD11 HG11 ' A' ' 83' ' ' VAL . 4.3 pt -126.93 -43.47 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.816 ' HB2' HG13 ' A' ' 83' ' ' VAL . 12.3 t60 -139.06 137.77 36.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.58 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.652 ' HB3' HD11 ' A' ' 68' ' ' LEU . 21.1 pt20 -140.43 128.01 21.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 48.2 tp -103.8 130.49 51.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.0 m -121.19 140.59 51.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.435 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 35.1 t30 64.79 78.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.1 OUTLIER 165.3 69.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.72 20.05 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -81.9 -29.46 32.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.53 115.31 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.413 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 1.5 mpp_? -91.78 -27.44 18.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.443 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 3.5 m -143.25 162.17 36.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.964 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -162.7 157.61 21.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -85.09 140.02 31.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.816 HG13 ' HB2' ' A' ' 70' ' ' HIS . 21.4 t -113.89 94.4 33.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.523 ' HD2' ' CE1' ' A' ' 70' ' ' HIS . 18.2 Cg_endo -75.01 -169.05 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.446 1.761 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 51.04 69.37 0.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.652 HD12 HG13 ' A' ' 34' ' ' VAL . 63.9 mt -127.54 149.49 50.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -87.04 117.77 69.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.442 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.1 Cg_endo -75.01 150.84 38.71 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.8 t80 55.41 41.61 30.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 87.6 m -147.57 138.07 23.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 55.2 m -75.28 125.68 29.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 108.289 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.678 ' OH ' HG22 ' A' ' 57' ' ' VAL . 2.6 m-85 -143.38 158.81 43.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.582 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 1.7 t -119.5 174.05 6.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.456 ' CD1' ' O ' ' A' ' 93' ' ' SER . 49.8 m-85 -157.1 141.26 16.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.588 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 5.4 ptp180 -126.52 -167.61 1.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.586 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -138.5 163.07 32.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -165.89 148.67 7.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 104' ' ' THR . 32.9 mt-30 -118.58 143.25 46.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.509 HG22 ' OG1' ' A' ' 104' ' ' THR . 5.2 t -127.44 124.84 64.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 103' ' ' GLY . 45.1 p-10 -133.09 161.85 33.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.408 ' O ' HG13 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -40.53 -33.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 15' ' ' PRO . 29.2 t -65.58 -74.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.403 ' O ' ' OD1' ' A' ' 100' ' ' ASN . . . -163.49 -143.1 3.59 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.509 ' OG1' HG22 ' A' ' 99' ' ' VAL . 1.0 OUTLIER -131.78 132.57 43.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 110.392 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.81 169.1 2.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 168.21 25.32 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 133.42 16.55 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.0 t -94.41 165.83 12.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.949 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -59.78 157.11 30.57 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.243 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 158.62 41.8 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.5 1.79 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.2 p -82.67 167.12 18.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.023 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.45 ' O ' HG23 ' A' ' 114' ' ' ILE . 10.3 mmt180 -52.17 143.52 14.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 124.1 19.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.45 HG23 ' O ' ' A' ' 112' ' ' ARG . 2.4 pp -122.78 176.23 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -140.39 109.0 5.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.32 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.442 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 73.9 p -58.21 158.55 6.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.464 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 63.8 mt -76.54 -172.81 2.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -97.9 138.9 34.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.5 t -106.57 -58.99 1.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 61.33 -170.26 9.42 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 108.9 2.82 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 91.7 p -116.84 121.26 40.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.999 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.43 116.71 32.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.044 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -160.98 143.06 12.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 0.755 . . . . 0.0 110.047 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.66 157.04 22.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.93 149.55 9.79 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -59.37 124.2 19.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 0.783 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 m -149.41 86.8 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.961 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.24 -164.75 21.29 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 t -156.88 163.69 38.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 110.418 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 tp -129.13 137.56 56.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -170.4 -58.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -149.07 128.73 13.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.32 142.77 9.24 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.449 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 40.4 t -84.22 140.15 39.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.449 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.04 147.58 33.98 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.507 1.793 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.492 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.0 168.71 24.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.572 ' C ' HG21 ' A' ' 102' ' ' VAL . 44.0 mt-10 -130.5 173.86 10.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.538 HD21 ' CA ' ' A' ' 103' ' ' GLY . 9.0 mt -76.79 151.78 82.51 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -161.16 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.793 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.52 165.81 23.14 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 118.61 5.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.75 35.71 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.546 1.814 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.1 p -120.55 -166.05 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 m120 61.9 30.55 18.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.03 129.07 37.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.03 152.47 23.9 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.567 HD13 ' HG ' ' A' ' 36' ' ' LEU . 5.1 mm -104.04 132.42 50.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.1 m -138.21 164.58 28.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.964 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 41.08 59.1 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.456 HG12 HD13 ' A' ' 114' ' ' ILE . 6.0 mt -70.12 100.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.37 -166.93 37.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.449 1.763 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -123.6 3.7 8.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.94 144.47 35.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.705 HG13 HD12 ' A' ' 86' ' ' LEU . 1.5 m -144.5 175.55 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 31.4 m -113.98 123.56 50.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.384 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.567 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -107.25 121.21 44.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.363 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -104.51 148.58 26.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.475 ' CG ' ' SD ' ' A' ' 96' ' ' MET . 4.2 p90 -167.07 -171.51 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.973 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -151.03 129.42 6.04 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 103.7 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.788 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.79 -78.05 0.16 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.5 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 22.1 t80 -123.34 107.98 12.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.48 -46.16 89.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.5 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 108.92 26.84 5.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.441 1.088 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt 65.34 34.6 8.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 46' ' ' THR . 11.6 t -169.81 115.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.4 m -46.05 149.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.567 HG13 ' CH2' ' A' ' 51' ' ' TRP . 6.3 mm -71.65 137.87 22.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.65 -33.16 25.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.525 ' NE ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -167.82 139.88 3.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.567 ' CH2' HG13 ' A' ' 48' ' ' ILE . 29.0 m95 -97.44 129.08 44.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 107.991 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.897 ' HG ' HD13 ' A' ' 68' ' ' LEU . 2.5 tp -98.69 145.03 27.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 70' ' ' HIS . 12.6 t -137.49 105.58 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.407 ' OE1' ' NH2' ' A' ' 97' ' ' ARG . 56.9 mt-10 -98.26 171.07 8.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.536 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -166.5 164.04 17.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.147 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.6 ' O ' ' CD2' ' A' ' 92' ' ' TYR . 4.7 mt-30 -122.82 161.61 23.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.805 HG22 ' OH ' ' A' ' 92' ' ' TYR . 45.6 t -98.68 129.67 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.839 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 37.15 -98.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 57' ' ' VAL . 79.2 t -42.98 107.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 58' ' ' GLY . 93.1 t -102.31 78.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 168.75 -146.66 10.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.47 153.49 27.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 110.303 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 99.28 -32.49 7.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -115.22 157.59 23.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 56' ' ' GLN . 2.2 pt-20 -104.39 -178.32 3.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.408 ' O ' HD23 ' A' ' 67' ' ' LEU . 24.1 m95 -123.56 107.45 11.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.019 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 66' ' ' TRP . 11.8 mt -112.0 161.54 16.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.244 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.897 HD13 ' HG ' ' A' ' 52' ' ' LEU . 1.8 tp -74.05 151.6 40.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.505 HD13 ' CB ' ' A' ' 55' ' ' ALA . 3.7 pt -134.7 -44.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CE1' ' HD2' ' A' ' 84' ' ' PRO . 12.0 t60 -136.24 141.8 43.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.643 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.537 ' HB3' HD11 ' A' ' 68' ' ' LEU . 14.6 pt20 -144.47 134.93 24.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.285 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 75' ' ' GLU . 33.1 tp -106.57 112.85 26.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.96 149.67 22.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 110.034 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 45.78 84.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.461 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 170.31 66.35 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -1.11 10.79 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.472 1.775 . . . . 0.0 111.005 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -115.39 52.04 0.9 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.53 94.13 3.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.15 -29.86 68.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.9 p -143.38 161.46 38.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.7 ptp -160.92 157.15 26.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -84.85 138.09 32.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.51 HG13 ' CB ' ' A' ' 70' ' ' HIS . 11.9 t -114.24 93.49 31.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.572 ' HD2' ' CE1' ' A' ' 70' ' ' HIS . 18.3 Cg_endo -74.99 -162.8 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 40.6 73.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.705 HD12 HG13 ' A' ' 34' ' ' VAL . 59.6 mt -126.57 155.33 42.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -87.17 119.43 70.94 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 159.36 41.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CD1' ' HG2' ' A' ' 118' ' ' GLN . 0.2 OUTLIER 38.91 44.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.3 m -146.1 134.01 21.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.43 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 59.6 m -74.59 115.83 14.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 108.297 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.805 ' OH ' HG22 ' A' ' 57' ' ' VAL . 2.2 m-85 -134.77 156.5 48.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.536 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 2.2 t -119.39 166.93 12.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.444 ' CB ' HD11 ' A' ' 36' ' ' LEU . 48.8 m-85 -150.6 147.64 27.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -130.53 -170.46 2.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.475 ' SD ' ' CG ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -132.33 163.03 29.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.407 ' NH2' ' OE1' ' A' ' 54' ' ' GLU . 7.5 mtt180 -168.57 144.77 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.437 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 61.6 mt-30 -114.37 149.56 35.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.923 HG22 ' OG1' ' A' ' 104' ' ' THR . 53.6 t -136.39 128.23 44.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 25.9 p-10 -135.41 -179.51 5.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.416 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -58.22 -15.49 5.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.572 HG21 ' C ' ' A' ' 16' ' ' GLU . 93.4 t -79.49 -76.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.538 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -166.19 -161.91 16.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.923 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -114.36 111.75 21.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.375 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.74 169.07 0.43 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.947 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.07 13.4 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.487 1.783 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 137.37 21.56 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.472 1.775 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.8 t -94.18 163.32 13.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.86 129.76 11.59 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 159.01 41.95 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.496 1.787 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.3 p -77.11 164.63 25.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -63.64 165.64 7.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.35 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.81 119.93 16.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.456 HD13 HG12 ' A' ' 29' ' ' ILE . 2.3 pp -119.89 166.62 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.6 122.69 40.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 53.1 p -80.9 153.83 27.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.6 mt -67.09 177.85 1.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.404 ' HG2' ' CD1' ' A' ' 89' ' ' PHE . 1.8 mm-40 -75.88 171.83 13.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.4 t -97.48 113.63 25.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.013 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 135.11 169.2 11.83 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 168.94 23.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.801 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -154.28 -56.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.71 147.99 22.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.967 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t 178.36 147.64 0.17 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 0.751 . . . . 0.0 110.015 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.4 p 179.81 108.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.7 143.97 7.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p -131.89 159.99 37.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 p -117.11 141.3 48.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.0 93.91 0.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.044 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -170.01 152.64 4.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 110.444 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pt -126.3 77.61 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.5 77.29 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m 64.27 140.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.93 164.65 21.84 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.5 p -140.67 124.11 10.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.06 147.69 34.05 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.497 1.788 . . . . 0.0 111.017 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.456 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.1 Cg_endo -75.02 158.14 42.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.466 1.771 . . . . 0.0 110.956 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.49 ' O ' HG21 ' A' ' 102' ' ' VAL . 47.3 mt-10 -112.85 179.32 4.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.492 HD21 ' CA ' ' A' ' 103' ' ' GLY . 8.1 mt -80.52 152.61 73.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.474 ' CG ' ' HB3' ' A' ' 98' ' ' GLN . 18.3 Cg_endo -75.02 -161.63 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.52 168.29 21.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 120.51 6.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.457 1.767 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 145.11 31.17 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.532 1.806 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.2 p -121.6 -165.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.389 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 61.75 31.55 18.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.74 133.55 41.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -148.86 156.28 26.76 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.591 HD13 ' HG ' ' A' ' 36' ' ' LEU . 4.7 mm -117.25 106.31 19.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.5 m -122.52 172.88 8.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 46.06 43.68 10.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.546 ' CG1' HG22 ' A' ' 26' ' ' ILE . 20.5 mt -61.99 101.76 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.5 -165.25 41.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -53.63 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.6 mtm180 -128.65 15.87 6.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.07 136.86 20.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.697 HG13 HD12 ' A' ' 86' ' ' LEU . 1.8 m -142.95 157.46 17.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.9 m -100.59 119.94 39.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.591 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -103.41 114.53 28.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -97.56 161.77 13.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.413 ' CE2' ' HE1' ' A' ' 96' ' ' MET . 33.8 p90 -179.73 -171.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -148.04 134.56 9.99 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.65 3.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.466 1.771 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.41 -73.65 0.71 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -128.64 113.25 15.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -64.14 -49.97 70.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 111.89 32.96 2.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.11 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt 60.79 37.25 18.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 109.274 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 t -172.12 127.6 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.8 p -52.89 146.08 11.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.505 HG13 ' CH2' ' A' ' 51' ' ' TRP . 6.6 mm -66.47 150.95 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.5 m -100.29 -38.53 8.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.478 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -169.5 141.0 2.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.274 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.549 ' CZ3' ' HG3' ' A' ' 98' ' ' GLN . 7.7 m95 -96.77 144.0 27.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.889 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -111.74 130.29 55.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.11 108.21 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -100.58 172.91 6.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.259 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.609 ' CB ' HD13 ' A' ' 69' ' ' ILE . . . -167.94 157.28 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 59' ' ' VAL . 1.2 mt-30 -119.42 147.44 44.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.773 HG13 ' OH ' ' A' ' 92' ' ' TYR . 38.8 t -85.76 130.41 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.663 ' O ' HG12 ' A' ' 60' ' ' VAL . . . 36.4 -98.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 59' ' ' VAL . 5.4 p -46.83 96.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.92 HG21 ' HB2' ' A' ' 93' ' ' SER . 3.2 p -129.61 103.01 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -161.54 -111.54 0.27 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.1 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.31 120.17 23.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 128.96 -12.38 6.13 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -110.88 151.34 27.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 0.733 . . . . 0.0 110.313 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.95 159.47 21.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.594 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 8.7 m95 -109.93 118.02 35.34 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -100.77 153.23 19.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.889 HD13 ' HG ' ' A' ' 52' ' ' LEU . 6.5 tp -75.79 152.24 37.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.609 HD13 ' CB ' ' A' ' 55' ' ' ALA . 1.2 pt -137.93 -46.95 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.604 ' CB ' HG13 ' A' ' 83' ' ' VAL . 78.2 t60 -129.01 149.03 51.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.624 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.557 ' OE1' HD21 ' A' ' 68' ' ' LEU . 13.4 pt20 -154.82 125.28 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.8 tp -103.48 116.37 32.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.19 135.17 47.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 69.27 88.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 169.59 71.02 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.92 8.29 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.506 1.793 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -125.0 35.95 4.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -107.37 94.02 4.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -30.86 70.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 64.7 p -143.8 171.07 14.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 110.033 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.8 ptp -164.98 155.32 13.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.463 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 20.3 tt0 -83.01 137.81 33.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.604 HG13 ' CB ' ' A' ' 70' ' ' HIS . 6.2 t -113.51 93.86 29.4 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -169.15 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.65 ' O ' HD23 ' A' ' 86' ' ' LEU . 4.1 t70 45.58 73.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.697 HD12 HG13 ' A' ' 34' ' ' VAL . 68.8 mt -129.22 144.5 51.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -86.39 116.1 64.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.488 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -74.95 153.86 42.34 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.9 t80 54.28 40.27 31.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.3 m -146.8 135.41 22.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.364 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 58.0 m -74.12 114.57 12.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 108.277 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.773 ' OH ' HG13 ' A' ' 57' ' ' VAL . 2.6 m-85 -133.81 159.81 39.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.92 ' HB2' HG21 ' A' ' 60' ' ' VAL . 3.9 t -119.26 165.38 14.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.959 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -150.82 140.53 21.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.594 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 5.9 ptp180 -128.65 -168.06 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.413 ' HE1' ' CE2' ' A' ' 38' ' ' PHE . 12.1 mmm -141.68 157.61 44.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.477 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 53.1 mtt180 -150.58 157.93 43.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 110.261 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.549 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -123.28 134.69 54.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.152 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 1.024 HG22 ' OG1' ' A' ' 104' ' ' THR . 40.3 t -127.74 130.65 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.4 p30 -135.78 -179.26 5.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.08 -15.83 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.49 HG21 ' O ' ' A' ' 16' ' ' GLU . 63.3 t -83.3 -78.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.492 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -160.88 -150.44 5.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 1.024 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -121.51 133.39 55.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.759 . . . . 0.0 110.392 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.401 ' CB ' ' CD ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -72.09 172.99 6.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.04 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 105' ' ' SER . 18.3 Cg_endo -75.02 173.68 14.09 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.542 1.812 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.422 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -75.0 137.47 21.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.2 t -94.2 150.76 20.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 110.032 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -39.47 135.3 1.18 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 157.99 42.33 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.3 p -82.95 145.64 29.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.002 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -44.01 161.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.01 121.95 16.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.135 . . . . 0.0 109.356 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.2 pp -115.63 173.44 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.72 112.89 12.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.417 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 19.4 p -69.7 151.35 45.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.434 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 30.5 mt -64.68 175.06 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -90.32 148.04 23.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.142 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.5 t -97.0 80.18 2.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -141.44 171.1 24.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 85.95 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.782 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.18 107.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.041 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.1 t -66.48 165.25 14.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.44 165.79 27.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 0.76 . . . . 0.0 110.001 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.0 p -150.95 159.88 44.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.6 -158.61 34.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.53 158.45 4.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 p -159.83 150.56 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.36 85.02 1.01 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 p -120.28 115.78 24.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 0.0 110.396 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.6 tt -49.02 127.34 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 t -123.88 164.1 19.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.16 98.35 7.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 110.04 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.98 143.39 14.57 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.439 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 21.8 t -83.62 139.9 41.06 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 0.749 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.439 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.98 147.53 34.12 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.488 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.6 Cg_endo -74.94 163.02 36.27 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.838 ' O ' HG21 ' A' ' 102' ' ' VAL . 47.4 mt-10 -114.92 174.86 5.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.521 HD23 ' HB ' ' A' ' 102' ' ' VAL . 10.8 mt -76.31 152.62 83.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -170.29 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.43 163.53 20.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 122.67 7.33 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.9 22.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.54 1.81 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 p -108.42 -167.68 1.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.458 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 m120 61.88 35.56 16.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.38 137.91 40.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.09 144.34 10.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.51 HD13 ' HG ' ' A' ' 36' ' ' LEU . 4.8 mm -105.19 114.8 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.6 p -125.3 172.28 9.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 41.47 57.01 3.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.491 HD13 ' HB ' ' A' ' 114' ' ' ILE . 48.8 mt -71.19 101.79 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.08 -166.1 35.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.445 1.091 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -49.21 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.5 1.789 . . . . 0.0 111.0 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.21 16.99 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.443 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -152.83 150.01 28.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.704 HG13 HD12 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -151.6 171.19 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.1 m -109.46 124.29 50.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 94' ' ' PHE . 1.0 OUTLIER -105.49 126.56 52.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -110.67 159.86 17.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.541 ' CD1' ' O ' ' A' ' 79' ' ' ARG . 35.0 p90 179.68 -172.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 11.9 mtt85 -145.13 134.11 11.13 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.354 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 39' ' ' ARG . 18.4 Cg_endo -75.01 106.11 2.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.789 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.77 -87.67 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.573 1.171 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -111.98 104.38 12.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.82 -55.76 23.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 113.03 47.99 0.63 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt 48.09 29.17 1.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 0.732 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.43 ' CG2' ' HB2' ' A' ' 100' ' ' ASN . 0.7 OUTLIER -168.79 128.3 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.8 m -55.67 163.51 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.569 HG13 ' CH2' ' A' ' 51' ' ' TRP . 19.5 mm -84.82 143.52 11.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.09 -37.99 11.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.48 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 3.8 tmm_? -166.36 137.22 3.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CH2' HG13 ' A' ' 48' ' ' ILE . 3.6 m95 -94.01 145.65 24.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 107.981 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.963 ' HG ' HD13 ' A' ' 68' ' ' LEU . 1.2 tp -109.29 129.15 55.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.503 ' O ' HD12 ' A' ' 68' ' ' LEU . 15.8 t -121.44 105.81 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.498 ' OE2' ' CZ ' ' A' ' 97' ' ' ARG . 23.0 mt-10 -99.39 176.83 5.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.522 ' HB3' HG21 ' A' ' 69' ' ' ILE . . . -168.5 156.8 8.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.552 ' O ' ' CD2' ' A' ' 92' ' ' TYR . 2.0 mt-30 -117.97 153.55 33.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.664 HG13 ' OH ' ' A' ' 92' ' ' TYR . 47.2 t -89.09 128.11 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.802 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.95 -95.89 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' VAL . 53.8 t -42.05 102.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.793 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 58' ' ' GLY . 97.9 t -95.35 81.57 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 141.32 -135.58 6.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 52.23 -174.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 0.775 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.25 56.27 3.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.3 174.25 5.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -110.39 158.17 18.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -114.34 102.39 10.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 108.021 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.5 mt -94.65 154.91 17.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.242 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.963 HD13 ' HG ' ' A' ' 52' ' ' LEU . 12.1 tp -75.2 155.63 36.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.583 HD11 HG11 ' A' ' 83' ' ' VAL . 2.7 pt -134.75 -47.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.723 ' CB ' HG13 ' A' ' 83' ' ' VAL . 41.5 t60 -130.26 142.69 50.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.607 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.584 ' OE1' HD21 ' A' ' 68' ' ' LEU . 15.6 pt20 -147.7 125.17 11.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 25.1 tp -104.55 118.94 37.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.39 139.32 44.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 45.3 t30 71.61 71.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -178.01 68.56 0.21 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 1.09 8.15 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.53 30.29 6.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -104.7 108.4 19.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.541 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -82.93 -29.05 29.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.8 p -143.24 170.36 15.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 109.997 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.7 ptp -167.42 157.81 11.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.597 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 14.2 tt0 -86.08 140.37 30.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.723 HG13 ' CB ' ' A' ' 70' ' ' HIS . 4.8 t -118.27 93.13 44.51 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -164.07 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.505 1.792 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 44.62 68.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.704 HD12 HG13 ' A' ' 34' ' ' VAL . 21.5 mt -119.87 161.13 21.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.466 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 4.8 m-80 -94.88 112.16 57.13 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.405 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.3 Cg_endo -74.96 144.34 30.29 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.79 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.5 t80 60.77 36.08 19.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.8 m -146.89 138.58 24.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.421 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 56.6 m -74.68 132.74 41.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 108.294 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.664 ' OH ' HG13 ' A' ' 57' ' ' VAL . 5.1 m-85 -151.08 161.47 42.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.432 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 27.4 p -119.49 173.63 6.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.596 ' HB3' HD11 ' A' ' 36' ' ' LEU . 69.1 m-85 -156.86 137.67 13.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.5 -170.6 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 11.3 mmm -140.71 160.07 40.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.498 ' CZ ' ' OE2' ' A' ' 54' ' ' GLU . 72.3 mtt180 -154.72 167.67 29.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.443 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 77.7 mt-30 -131.82 133.95 45.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 1.006 HG22 ' OG1' ' A' ' 104' ' ' THR . 60.0 t -123.78 126.97 73.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.43 ' HB2' ' CG2' ' A' ' 46' ' ' THR . 37.2 p30 -135.58 -179.98 5.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -58.44 -15.87 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.838 HG21 ' O ' ' A' ' 16' ' ' GLU . 22.0 t -80.59 -67.95 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.518 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -170.43 -143.14 3.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 1.006 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.8 OUTLIER -125.27 143.42 50.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 110.436 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.0 p -76.71 159.13 79.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 174.39 12.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.525 1.803 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 129.86 12.69 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 t -93.5 168.76 10.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.15 136.03 39.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 151.48 39.44 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.5 p -77.44 146.12 36.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.048 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -44.94 152.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.87 136.12 56.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.491 ' HB ' HD13 ' A' ' 29' ' ' ILE . 1.8 pp -132.73 -179.36 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.2 121.23 23.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.405 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 41.6 p -75.36 148.67 39.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.6 mt -69.8 173.6 6.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -83.32 145.43 29.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.0 t -89.63 91.66 8.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 162.13 -175.9 38.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 178.92 6.64 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.801 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.63 168.42 27.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.02 135.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -140.95 167.21 22.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 0.748 . . . . 0.0 110.031 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.9 p -63.75 132.14 50.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.009 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.94 144.81 18.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -171.78 167.43 6.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 0.771 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 m 64.64 146.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.25 135.09 12.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.5 t -108.06 129.72 55.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 110.401 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -57.22 137.09 19.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.4 t -115.51 121.99 44.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.037 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.43 -55.89 3.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.047 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.04 -167.26 15.9 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.76 128.41 84.01 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.582 0.813 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.01 147.68 34.21 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.488 1.783 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.459 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.0 154.6 42.6 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.444 1.76 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.593 ' O ' HG21 ' A' ' 102' ' ' VAL . 42.8 mt-10 -109.3 -176.24 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 17' ' ' LEU . 8.6 mt -85.93 154.3 58.02 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.4 Cg_endo -74.99 -165.27 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.029 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.14 163.92 22.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.548 1.155 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.85 6.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.791 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 135.14 18.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.8 p -114.36 -166.3 1.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.378 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 60.99 29.19 18.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.47 134.29 48.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.99 145.9 14.5 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.594 HG22 ' CG1' ' A' ' 29' ' ' ILE . 4.8 mm -104.25 115.66 46.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 0.754 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.5 m -125.23 172.7 9.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 40.29 51.81 2.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.594 ' CG1' HG22 ' A' ' 26' ' ' ILE . 11.3 mt -68.37 100.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -84.96 -168.9 45.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -50.11 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -125.88 8.94 7.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 30' ' ' GLY . 1.5 p -146.54 145.19 30.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.689 HG13 HD12 ' A' ' 86' ' ' LEU . 1.9 m -146.48 160.69 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.2 m -102.17 115.6 30.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -100.88 118.59 37.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -104.09 139.67 38.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.542 ' CE2' ' HE1' ' A' ' 96' ' ' MET . 28.3 p90 -151.4 -175.91 5.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -149.73 133.23 8.59 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 114.3 3.99 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.787 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.62 -73.03 0.81 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.125 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.499 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 13.5 t80 -124.6 97.03 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -46.53 -49.56 18.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.499 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 105.86 40.55 1.98 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt 55.94 30.1 15.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.786 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 44' ' ' GLY . 9.4 t -170.89 133.6 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.417 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -59.98 160.29 8.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.513 HG13 ' CH2' ' A' ' 51' ' ' TRP . 7.2 mm -79.39 146.1 8.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.27 -35.83 12.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -164.91 145.67 7.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.583 ' HB2' ' HE1' ' A' ' 81' ' ' MET . 24.4 m95 -102.13 135.51 43.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 107.978 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.883 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -106.83 134.23 50.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.7 t -123.56 114.43 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -110.35 160.75 16.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -154.94 164.48 38.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.488 ' OE1' ' CB ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -126.54 135.16 50.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.9 HG22 ' OH ' ' A' ' 92' ' ' TYR . 28.4 t -71.7 135.61 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.966 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.94 -95.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' VAL . 76.5 t -40.1 127.29 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 0.74 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.966 HG23 ' O ' ' A' ' 58' ' ' GLY . 93.6 t -132.39 79.41 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -179.13 167.32 37.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -39.96 159.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 0.756 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.99 -42.11 2.0 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.15 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.488 ' CB ' ' OE1' ' A' ' 56' ' ' GLN . 1.0 OUTLIER -94.04 153.36 18.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.759 . . . . 0.0 110.273 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -93.56 156.34 16.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.249 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.559 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 19.8 m95 -103.18 118.33 36.55 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.7 mt -107.38 156.57 18.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.883 HD13 ' HG ' ' A' ' 52' ' ' LEU . 8.5 tp -75.56 152.68 37.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.473 HD13 ' CB ' ' A' ' 55' ' ' ALA . 8.6 pt -135.88 -48.27 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.653 ' HB2' HG13 ' A' ' 83' ' ' VAL . 14.2 t60 -136.26 157.79 45.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.826 ' CD ' HD21 ' A' ' 68' ' ' LEU . 1.4 mt-30 -148.82 160.64 43.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.418 HD23 ' CD1' ' A' ' 51' ' ' TRP . 24.5 tp -134.96 106.39 6.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.56 147.1 25.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 0.3 OUTLIER 52.48 87.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.512 ' CD ' ' HB2' ' A' ' 78' ' ' ALA . 0.0 OUTLIER 165.98 70.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -26.22 11.16 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.77 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -77.04 -37.19 55.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.512 ' HB2' ' CD ' ' A' ' 75' ' ' GLU . . . -41.1 127.23 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.21 -23.67 11.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.8 p -143.14 159.5 42.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.017 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.583 ' HE1' ' HB2' ' A' ' 51' ' ' TRP . 5.8 ptp -156.01 159.14 38.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -93.28 138.18 31.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.653 HG13 ' HB2' ' A' ' 70' ' ' HIS . 4.6 t -113.96 93.84 31.4 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.534 ' HD2' ' CE1' ' A' ' 70' ' ' HIS . 18.3 Cg_endo -75.0 -165.78 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.464 1.77 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 42.61 75.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.689 HD12 HG13 ' A' ' 34' ' ' VAL . 62.3 mt -129.34 148.79 51.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -87.33 113.63 54.83 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.428 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -75.02 157.18 42.83 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.521 1.801 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.0 t80 53.57 40.08 30.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 90.4 m -147.74 137.76 22.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.441 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 60.7 m -74.84 115.29 14.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 108.308 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.9 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.1 m-85 -135.7 158.41 44.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.539 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 94.5 p -119.63 171.69 8.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.474 ' CB ' HD11 ' A' ' 36' ' ' LEU . 65.2 m-85 -156.62 131.57 9.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.559 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 5.0 ptp180 -120.68 -168.7 1.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.244 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.542 ' HE1' ' CE2' ' A' ' 38' ' ' PHE . 17.3 mmm -141.31 159.58 41.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.18 . . . . 0.0 110.981 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -153.58 154.02 33.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 104' ' ' THR . 32.1 mt-30 -117.85 144.08 45.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.951 HG22 ' OG1' ' A' ' 104' ' ' THR . 41.4 t -136.06 129.07 46.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 35.0 p-10 -134.36 179.63 6.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -56.16 -17.8 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.593 HG21 ' O ' ' A' ' 16' ' ' GLU . 58.7 t -82.19 -79.78 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.447 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -161.45 -150.82 6.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.951 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -118.66 146.07 44.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 110.384 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.42 ' CB ' ' CD ' ' A' ' 106' ' ' PRO . 0.4 OUTLIER -82.37 174.01 6.72 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.986 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 105' ' ' SER . 18.3 Cg_endo -75.02 173.24 14.85 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.799 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.411 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -74.95 136.73 20.9 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 109' ' ' GLN . 2.6 t -94.14 145.09 24.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 108' ' ' SER . 2.2 mp0 -37.66 140.34 0.52 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 147.57 34.2 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.791 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 79.7 p -77.54 146.42 36.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 112' ' ' ARG . 23.0 mtm105 -39.33 146.81 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -66.34 117.35 8.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 pp -109.3 173.12 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -127.73 109.91 12.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 19.7 p -61.51 153.95 25.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.447 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 55.4 mt -65.98 172.68 3.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -89.24 145.53 25.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.1 t -110.48 -56.36 2.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.45 -166.76 30.74 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 59.76 5.24 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.43 131.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.58 130.74 53.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.99 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m 59.63 168.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 t -103.91 147.64 27.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.989 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.8 168.38 11.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.53 127.18 31.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -121.13 -56.02 1.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.976 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.26 168.36 25.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.5 p -138.71 140.05 38.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 0.721 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -65.37 137.71 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 49.83 84.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.44 -57.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.53 147.06 9.01 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.423 HG13 ' HD2' ' A' ' 14' ' ' PRO . 38.2 t -76.2 139.62 68.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.4 Cg_endo -74.99 147.79 34.46 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.498 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -75.0 162.17 37.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.694 ' O ' HG21 ' A' ' 102' ' ' VAL . 47.7 mt-10 -116.33 173.94 6.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.467 HD21 ' CA ' ' A' ' 103' ' ' GLY . 11.6 mt -78.16 154.79 79.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.5 Cg_endo -74.98 -161.41 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.454 1.765 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.47 169.44 23.44 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.18 4.51 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 140.6 25.56 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.79 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.6 p -113.51 -165.62 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 64.49 26.06 13.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.515 HD11 ' HG3' ' A' ' 96' ' ' MET . 0.2 OUTLIER -71.02 128.16 35.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.4 147.18 16.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.534 HG22 ' CG1' ' A' ' 29' ' ' ILE . 26.2 mm -99.73 121.03 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 m -127.17 167.89 15.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 41.07 54.67 3.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.534 ' CG1' HG22 ' A' ' 26' ' ' ILE . 8.5 mt -68.7 100.22 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -84.97 -168.82 45.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -48.11 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.52 1.8 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -128.98 10.25 5.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.418 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 1.1 p -147.35 148.47 31.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.032 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.632 HG13 HD12 ' A' ' 86' ' ' LEU . 1.1 m -149.72 164.1 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 49.7 m -107.28 113.24 26.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.429 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.475 ' HG ' ' CD1' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -96.98 129.06 44.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -111.12 143.81 41.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 35.3 p90 -157.58 -171.45 3.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -157.87 132.71 5.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 111.39 3.31 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.486 1.782 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.39 -72.03 0.85 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.495 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 10.6 t80 -129.37 86.71 2.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.06 -58.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.495 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 115.18 58.52 0.35 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt 43.45 34.42 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 44' ' ' GLY . 13.7 t -173.53 141.89 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.7 m -73.35 163.56 27.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.967 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.621 HG23 ' H ' ' A' ' 99' ' ' VAL . 7.5 mm -81.2 137.29 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.2 m -85.01 -27.91 26.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.424 ' CD ' HD13 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -170.24 138.77 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.561 ' CH2' HG13 ' A' ' 48' ' ' ILE . 46.0 m95 -95.66 135.44 37.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.913 ' HG ' HD13 ' A' ' 68' ' ' LEU . 1.6 tp -106.2 134.22 49.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.8 t -127.88 105.78 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -99.83 169.68 9.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -167.02 162.29 15.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.647 ' OE1' HG23 ' A' ' 60' ' ' VAL . 7.3 mt-30 -121.97 148.52 44.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.753 HG22 ' OH ' ' A' ' 92' ' ' TYR . 43.8 t -88.76 127.13 41.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.573 ' O ' HG12 ' A' ' 60' ' ' VAL . . . 38.77 -95.2 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.551 1.157 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' VAL . 46.9 t -50.77 99.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.726 HG21 ' HB2' ' A' ' 93' ' ' SER . 2.7 p -126.91 108.04 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.58 -90.74 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -144.34 -51.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 0.0 110.27 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -43.73 -47.64 7.51 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.431 ' O ' ' NE2' ' A' ' 56' ' ' GLN . 1.3 mt-10 -72.42 148.9 44.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -88.61 168.76 12.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.521 ' CH2' ' HB3' ' A' ' 93' ' ' SER . 10.2 m95 -116.49 117.21 29.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 107.985 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 mt -107.18 158.32 17.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.913 HD13 ' HG ' ' A' ' 52' ' ' LEU . 1.7 tp -74.43 142.17 44.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.499 HD11 HG11 ' A' ' 83' ' ' VAL . 4.0 pt -124.35 -42.02 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.709 ' HB2' HG13 ' A' ' 83' ' ' VAL . 13.3 t60 -139.82 142.06 36.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.581 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.725 ' HB3' HD11 ' A' ' 68' ' ' LEU . 18.2 pt20 -144.72 133.94 22.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.647 HD21 ' CB ' ' A' ' 78' ' ' ALA . 23.8 tp -106.9 118.34 36.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.0 m -103.54 150.0 24.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.978 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 46.98 81.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.467 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 171.64 67.65 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -17.24 19.62 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -84.48 -22.26 30.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.586 1.179 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.647 ' CB ' HD21 ' A' ' 72' ' ' LEU . . . -58.33 108.84 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -88.56 -23.54 23.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.9 p -143.29 163.05 34.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.6 ptp -162.85 157.7 21.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.414 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 24.3 tt0 -89.65 138.74 31.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.709 HG13 ' HB2' ' A' ' 70' ' ' HIS . 3.1 t -115.4 93.65 36.95 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.431 ' HD2' ' CE1' ' A' ' 70' ' ' HIS . 18.2 Cg_endo -74.99 -165.01 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.504 1.792 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 46.98 65.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.632 HD12 HG13 ' A' ' 34' ' ' VAL . 72.4 mt -124.09 146.36 48.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.515 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 4.0 m120 -86.17 116.74 66.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.424 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.5 Cg_endo -74.95 151.56 39.93 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.539 1.81 . . . . 0.0 110.98 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.433 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 38.9 t80 54.92 42.31 31.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.1 m -147.77 139.12 23.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 62.9 m -74.64 118.89 18.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 108.304 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.753 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.8 m-85 -136.35 151.8 49.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.726 ' HB2' HG21 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -119.56 160.4 22.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.411 ' CD1' ' HB2' ' A' ' 55' ' ' ALA . 62.7 m-85 -143.96 156.11 44.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.408 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 5.5 ptp180 -139.86 -169.74 2.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.573 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -135.38 164.38 27.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -167.65 144.57 4.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.451 ' HB2' ' CG ' ' A' ' 18' ' ' PRO . 35.7 mt-30 -113.81 148.27 36.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.621 ' H ' HG23 ' A' ' 48' ' ' ILE . 23.4 t -135.45 126.55 44.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.354 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -135.67 -178.67 5.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -11.9 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.694 HG21 ' O ' ' A' ' 16' ' ' GLU . 97.7 t -80.27 -72.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.467 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -163.92 -145.16 4.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.452 1.095 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.6 109.43 10.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 110.396 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.4 p -53.08 160.84 1.42 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 109.978 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.78 13.92 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.94 25.96 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.456 1.767 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 t -94.48 165.89 12.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.08 136.83 57.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 153.46 41.7 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.788 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.4 p -80.25 164.33 23.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.053 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -53.36 151.65 5.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 119.85 12.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.2 pp -112.94 168.08 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -126.47 108.07 10.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.424 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 36.6 p -57.82 157.86 7.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.439 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.4 mt -67.68 175.83 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -92.42 147.43 22.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.8 t -90.58 136.88 32.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.027 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -171.44 -166.47 30.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.434 1.084 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 140.13 25.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.1 t 64.69 160.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.019 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.67 104.26 16.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -173.36 157.04 3.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 0.758 . . . . 0.0 110.032 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 p -40.25 119.76 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.03 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.31 -138.89 3.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 t -123.97 -57.95 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 0.766 . . . . 0.0 110.017 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.94 95.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.961 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.71 -121.61 0.29 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -106.6 154.86 20.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 0.736 . . . . 0.0 110.426 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.5 pp -84.1 160.13 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.0 m -96.21 148.89 22.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.981 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.7 t -61.66 -50.23 73.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.02 -138.36 8.57 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.5 p -106.18 122.23 42.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -74.99 147.7 34.33 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.495 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -74.98 167.06 27.88 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.894 ' O ' HG21 ' A' ' 102' ' ' VAL . 47.7 mt-10 -119.74 175.97 5.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.541 HD21 ' HA3' ' A' ' 103' ' ' GLY . 10.5 mt -76.83 153.61 83.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.421 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.2 Cg_endo -75.05 -161.13 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.544 1.813 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -134.0 168.86 23.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.15 5.17 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.477 1.777 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 136.58 20.48 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 110.948 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.1 p -112.48 -167.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 62.54 30.04 17.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.6 HD11 ' HB2' ' A' ' 96' ' ' MET . 0.1 OUTLIER -72.51 147.64 45.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.0 137.25 2.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.452 ' CD1' ' CB ' ' A' ' 111' ' ' SER . 5.3 mp -111.78 117.49 55.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.3 t -122.91 166.93 14.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.088 . . . . 0.0 109.966 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 58.72 42.63 19.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.551 HD13 ' HB ' ' A' ' 114' ' ' ILE . 24.4 mt -64.28 121.17 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -100.12 -155.55 27.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -57.41 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.769 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -130.28 24.12 5.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.77 136.85 16.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.007 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.725 HG13 HD12 ' A' ' 86' ' ' LEU . 1.8 m -144.41 163.6 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 26' ' ' ILE . 3.4 m -104.59 123.68 47.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.453 HD11 ' HB3' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -101.67 129.92 47.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -113.63 155.72 24.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -178.47 -177.33 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -149.82 134.98 9.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 109.81 3.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.548 1.815 . . . . 0.0 110.974 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.63 -71.89 0.93 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.045 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.51 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 12.1 t80 -125.52 100.67 6.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 0.79 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -55.03 -51.43 66.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.51 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 110.63 33.61 2.42 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.483 1.114 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt 61.56 35.61 17.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -172.16 123.93 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.366 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.2 m -55.8 147.78 18.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.535 HG13 ' CH2' ' A' ' 51' ' ' TRP . 7.4 mm -67.0 144.78 14.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.6 t -92.02 -31.98 15.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.485 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -169.59 140.25 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.361 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.535 ' CH2' HG13 ' A' ' 48' ' ' ILE . 23.0 m95 -96.16 136.7 36.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.042 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.946 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -107.76 130.32 54.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 95' ' ' ARG . 47.7 t -122.41 104.97 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.472 ' HB2' ' CG ' ' A' ' 95' ' ' ARG . 9.5 mt-10 -104.45 159.14 15.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 93' ' ' SER . . . -148.83 164.0 35.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.583 ' O ' ' CD1' ' A' ' 92' ' ' TYR . 4.1 mt-30 -120.08 143.08 48.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.147 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.577 ' HA ' ' CE1' ' A' ' 92' ' ' TYR . 1.6 p -89.24 132.44 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.894 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 37.26 -96.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 59' ' ' VAL . 12.2 p -45.95 97.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 58' ' ' GLY . 79.1 t -100.98 78.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 151.53 -145.79 13.93 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 55.01 -174.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.79 53.51 4.05 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -104.05 174.13 6.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.747 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -108.08 164.27 12.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.622 ' CD2' ' CZ ' ' A' ' 95' ' ' ARG . 5.4 m95 -114.91 107.01 14.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 108.034 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mt -88.21 151.48 22.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.946 HD13 ' HG ' ' A' ' 52' ' ' LEU . 9.1 tp -78.14 153.31 32.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.552 HD11 HG11 ' A' ' 83' ' ' VAL . 3.8 pt -133.2 -48.32 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.77 ' HB2' HG13 ' A' ' 83' ' ' VAL . 41.1 t60 -129.29 151.28 50.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.597 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.455 ' OE1' HD21 ' A' ' 68' ' ' LEU . 17.0 pt20 -155.95 127.45 7.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.495 HD11 ' OE2' ' A' ' 75' ' ' GLU . 42.3 tp -104.01 109.39 21.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.14 155.75 16.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.5 t30 40.95 77.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.495 ' OE2' HD11 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 176.97 64.95 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.316 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 0.78 8.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.515 1.797 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -115.44 50.48 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.08 108.12 9.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -76.5 -33.5 58.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.5 p -143.3 168.55 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -165.72 158.46 15.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.453 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 23.5 tt0 -84.56 139.9 31.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.77 HG13 ' HB2' ' A' ' 70' ' ' HIS . 8.4 t -113.66 94.12 31.24 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -164.77 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 t70 44.63 65.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.725 HD12 HG13 ' A' ' 34' ' ' VAL . 42.3 mt -120.41 142.16 49.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 87' ' ' ASN . 0.7 OUTLIER -88.12 113.61 55.71 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.483 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.4 Cg_endo -74.96 146.15 32.48 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.2 t80 68.71 37.4 2.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.0 m -148.12 138.03 22.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.353 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 69.2 m -77.07 117.43 18.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 108.299 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 56' ' ' GLN . 4.2 m-85 -136.51 162.12 33.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.604 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 73.8 m -119.48 -176.92 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.604 ' CD1' ' O ' ' A' ' 93' ' ' SER . 52.2 m-85 -156.77 127.36 6.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.622 ' CZ ' ' CD2' ' A' ' 66' ' ' TRP . 5.8 ptp180 -127.14 144.78 50.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.6 ' HB2' HD11 ' A' ' 24' ' ' LEU . 17.4 mmm -97.19 160.07 14.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -156.6 148.54 22.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -114.37 148.18 38.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.943 HG22 ' OG1' ' A' ' 104' ' ' THR . 91.9 t -139.53 124.54 20.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -133.09 -179.77 5.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.401 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.4 OUTLIER -61.48 -13.55 8.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.894 HG21 ' O ' ' A' ' 16' ' ' GLU . 24.8 t -79.95 -70.16 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.541 ' HA3' HD21 ' A' ' 17' ' ' LEU . . . -165.74 -150.19 6.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.943 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -126.9 101.66 6.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 110.408 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 p -42.44 163.31 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.97 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.08 13.4 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 140.19 25.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.52 1.8 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.5 t -94.3 166.9 11.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.74 137.74 24.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 153.56 42.13 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.452 ' CB ' ' CD1' ' A' ' 26' ' ' ILE . 53.3 p -75.66 167.03 22.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.954 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -64.27 159.51 20.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.9 113.57 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.551 ' HB ' HD13 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -107.54 -174.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -147.55 109.54 4.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 18.1 p -66.51 144.44 56.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.369 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 39.2 mt -64.16 176.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -86.96 150.8 23.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.4 t -88.69 136.93 32.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.003 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -122.84 159.42 17.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.468 1.105 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -57.61 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 58.4 m 63.93 104.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.019 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.36 125.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.96 -58.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 0.747 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.1 p -40.37 142.26 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.59 -177.64 28.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.28 122.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -150.39 -59.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.032 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.18 130.82 8.36 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.561 1.163 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.0 p -80.87 92.01 6.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 110.454 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp 64.25 121.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 0.0 109.254 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.77 -55.94 1.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -163.46 126.97 2.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.72 173.63 0.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.535 HG13 ' HD2' ' A' ' 14' ' ' PRO . 60.2 t -109.57 141.37 23.47 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.535 ' HD2' HG13 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 147.65 34.22 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.492 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.05 161.0 39.32 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.618 ' O ' HG21 ' A' ' 102' ' ' VAL . 48.9 mt-10 -117.3 176.89 4.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.506 HD21 ' CA ' ' A' ' 103' ' ' GLY . 8.3 mt -77.65 152.17 80.46 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -161.58 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.49 167.32 20.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 120.0 5.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 145.25 31.05 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.518 1.799 . . . . 0.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.0 p -120.48 -168.07 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.365 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 63.29 24.93 14.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD11 ' HB2' ' A' ' 96' ' ' MET . 0.2 OUTLIER -68.12 133.57 49.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.32 142.42 7.71 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.555 1.16 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.453 HG22 HG13 ' A' ' 29' ' ' ILE . 4.6 mp -111.05 129.37 66.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.3 m -130.19 168.97 15.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 50.28 43.47 26.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.453 HG13 HG22 ' A' ' 26' ' ' ILE . 7.4 mt -56.69 110.2 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.08 -169.62 46.13 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -44.15 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -134.05 10.8 3.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.3 139.78 24.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.971 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.671 HG13 HD12 ' A' ' 86' ' ' LEU . 2.4 m -140.92 165.28 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 m -106.87 110.12 22.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.368 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 tt -92.76 116.0 28.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -99.97 142.58 31.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.565 ' CE1' ' O ' ' A' ' 79' ' ' ARG . 20.6 p90 -157.18 179.26 9.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -145.72 129.79 8.66 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 115.29 4.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.81 . . . . 0.0 110.966 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.33 -78.72 0.54 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -127.41 124.49 38.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.26 -59.34 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.13 36.75 1.19 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.6 mttt 79.27 3.0 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.45 HG23 ' HB2' ' A' ' 100' ' ' ASN . 4.1 t -153.52 126.08 8.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.452 ' C ' HD13 ' A' ' 48' ' ' ILE . 2.2 m -55.18 -175.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.551 HG23 ' H ' ' A' ' 99' ' ' VAL . 5.3 mm -94.62 147.93 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.49 -26.63 13.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.461 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 3.7 tmm_? -169.94 142.26 2.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.453 ' CH2' HG13 ' A' ' 48' ' ' ILE . 19.8 m95 -99.37 129.13 45.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.018 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.968 ' HG ' HD13 ' A' ' 68' ' ' LEU . 2.9 tp -102.25 126.43 49.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.422 ' O ' HD12 ' A' ' 68' ' ' LEU . 36.4 t -116.76 106.61 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' OE1' ' NH2' ' A' ' 97' ' ' ARG . 39.5 mt-10 -100.43 163.82 12.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -162.62 160.26 25.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.46 146.82 45.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.773 HG22 ' OH ' ' A' ' 92' ' ' TYR . 45.3 t -81.07 133.03 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.635 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 35.03 -100.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.424 ' O ' HG13 ' A' ' 59' ' ' VAL . 6.4 p -40.56 103.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 58' ' ' GLY . 97.0 t -89.98 77.75 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.85 -148.06 17.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.551 1.157 . . . . 0.0 111.042 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 67.09 65.47 0.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 0.764 . . . . 0.0 110.265 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 49.76 43.75 38.65 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -120.17 128.14 53.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.3 169.31 14.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.517 ' CH2' ' HB3' ' A' ' 93' ' ' SER . 5.6 m95 -114.48 128.43 56.33 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mt -107.74 154.97 20.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.968 HD13 ' HG ' ' A' ' 52' ' ' LEU . 9.1 tp -76.92 154.52 33.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.557 HD11 HG11 ' A' ' 83' ' ' VAL . 6.2 pt -135.06 -46.88 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.771 ' HB2' HG13 ' A' ' 83' ' ' VAL . 57.5 t60 -132.2 135.46 46.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.615 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.438 ' HG2' HD21 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -140.2 118.46 12.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.3 tp -103.95 117.28 33.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 m -104.73 148.04 27.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.434 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 71.5 m-80 59.89 87.03 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER 164.63 68.81 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.319 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 1.27 7.95 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -101.82 -43.28 5.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -43.42 111.98 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.565 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -91.7 -26.26 18.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.348 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -143.53 160.2 41.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.965 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -163.95 160.64 22.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -82.91 142.79 31.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.771 HG13 ' HB2' ' A' ' 70' ' ' HIS . 22.9 t -117.78 93.75 44.58 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.418 ' HD2' ' ND1' ' A' ' 70' ' ' HIS . 18.1 Cg_endo -74.98 -163.91 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.444 1.76 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.9 t0 48.51 65.47 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.671 HD12 HG13 ' A' ' 34' ' ' VAL . 84.6 mt -125.82 150.45 47.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -88.55 120.54 70.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.481 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -75.03 139.99 24.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.0 t80 61.91 46.1 6.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 78.1 m -148.07 136.59 21.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.344 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 61.6 m -74.48 124.54 26.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 108.288 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.773 ' OH ' HG22 ' A' ' 57' ' ' VAL . 2.1 m-85 -143.53 162.55 35.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.559 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 4.6 t -119.46 173.31 7.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.983 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.509 ' CD1' ' O ' ' A' ' 93' ' ' SER . 45.9 m-85 -157.17 140.75 15.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 111.004 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.25 -168.86 2.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.467 ' HE2' ' CD2' ' A' ' 38' ' ' PHE . 18.9 mmm -142.56 159.58 41.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.416 ' NH2' ' OE1' ' A' ' 54' ' ' GLU . 17.4 mtt180 -157.16 150.54 24.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -115.69 141.72 47.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.936 HG22 ' OG1' ' A' ' 104' ' ' THR . 78.9 t -128.82 125.24 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.45 ' HB2' HG23 ' A' ' 46' ' ' THR . 32.6 p-10 -131.21 -179.53 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -13.49 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.618 HG21 ' O ' ' A' ' 16' ' ' GLU . 93.4 t -81.05 -80.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.506 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -156.56 -155.52 7.46 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.936 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -119.72 103.58 9.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.783 . . . . 0.0 110.457 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.23 165.89 0.13 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.041 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 174.41 12.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.475 1.776 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 139.18 23.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.5 t -94.4 158.3 15.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -47.01 137.57 7.81 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.54 42.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.79 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 p -77.43 174.67 10.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.038 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -69.09 168.42 13.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.62 121.37 18.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.0 pp -117.96 170.16 7.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -134.16 120.1 19.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.347 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.6 p -75.37 156.81 35.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 20.5 mt -73.98 178.05 5.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -93.6 148.71 21.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.1 t -110.02 139.23 45.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.994 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 137.36 167.43 11.07 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 77.76 3.07 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.77 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -157.08 137.37 12.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.73 138.49 36.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.03 161.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 110.019 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.1 99.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.068 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.32 -133.67 39.13 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -179.02 103.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 0.813 . . . . 0.0 110.006 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.29 156.24 47.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.009 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.85 121.77 1.33 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.4 p -117.8 84.37 2.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 110.397 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 9' ' ' ILE . 14.1 mt 63.72 74.51 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.5 p -98.07 77.89 2.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.67 92.18 4.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -158.22 171.28 35.11 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -118.54 134.05 23.51 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -74.99 147.81 34.48 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.555 ' HG2' HG22 ' A' ' 102' ' ' VAL . 18.5 Cg_endo -74.96 156.39 43.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.529 1.805 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -111.88 167.98 9.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 17' ' ' LEU . 8.2 mt -77.01 153.81 82.75 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.5 Cg_endo -74.97 -176.89 3.1 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.443 1.759 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.56 173.66 18.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.26 5.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 156.94 42.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.773 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.5 p -125.2 -165.76 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.42 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.3 m120 61.44 34.44 18.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.342 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.64 HD11 ' HG3' ' A' ' 96' ' ' MET . 0.1 OUTLIER -79.49 132.11 36.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.339 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -145.66 159.44 27.92 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.499 1.125 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.742 HG22 HD11 ' A' ' 29' ' ' ILE . 15.7 mm -124.4 104.44 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.54 172.61 10.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 46.69 52.79 10.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.742 HD11 HG22 ' A' ' 26' ' ' ILE . 62.4 mt -77.89 101.53 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.92 -158.87 29.98 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.429 1.081 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -56.9 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.523 1.801 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -126.96 21.59 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.427 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 0.8 OUTLIER -151.45 143.2 23.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.763 HG13 HD12 ' A' ' 86' ' ' LEU . 2.2 m -151.23 153.27 10.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.0 m -95.43 129.58 42.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.562 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -114.6 119.48 36.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -99.73 141.46 32.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.592 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 30.0 p90 -156.04 -179.59 8.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -148.5 136.0 10.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 106.75 2.34 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.487 1.783 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.31 -45.0 32.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 25.1 t80 -157.78 97.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 110.999 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.558 ' HA ' HD11 ' A' ' 48' ' ' ILE . 16.9 m-20 -59.41 -57.34 13.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.66 41.56 0.29 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt 49.82 28.46 2.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 0.0 109.298 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 47' ' ' SER . 7.5 t -156.96 24.26 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.386 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.463 ' O ' HD13 ' A' ' 48' ' ' ILE . 6.3 t 43.64 -166.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.619 HD12 ' HB3' ' A' ' 98' ' ' GLN . 25.2 mm -113.23 144.85 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.08 -34.57 11.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -159.57 137.88 10.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.53 ' CZ3' HG13 ' A' ' 48' ' ' ILE . 18.5 m95 -97.12 124.11 41.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 107.98 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.881 ' HG ' HD13 ' A' ' 68' ' ' LEU . 3.4 tp -95.85 143.43 27.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.0 t -134.14 114.01 18.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -108.23 169.49 8.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -163.47 161.56 24.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.4 137.91 54.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.245 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.773 HG22 ' OH ' ' A' ' 92' ' ' TYR . 29.4 t -76.07 134.99 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.877 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.42 -98.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.573 1.171 . . . . 0.0 111.027 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 57' ' ' VAL . 3.1 p -41.1 118.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 0.786 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 58' ' ' GLY . 72.1 t -120.05 80.04 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -167.72 174.92 42.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -52.29 175.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 110.32 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.98 -44.98 3.41 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.138 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.23 154.14 23.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 0.774 . . . . 0.0 110.287 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -91.78 165.07 13.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.601 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 11.3 m95 -118.35 113.1 20.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.002 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.3 mt -102.67 158.2 16.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.881 HD13 ' HG ' ' A' ' 52' ' ' LEU . 2.4 tp -73.19 151.03 41.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.55 HG21 ' HB3' ' A' ' 55' ' ' ALA . 7.0 pt -132.19 -44.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.466 ' CB ' HG13 ' A' ' 83' ' ' VAL . 79.9 t60 -136.01 137.05 40.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.621 ' HB3' HD11 ' A' ' 68' ' ' LEU . 22.6 pt20 -142.13 124.61 15.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.7 tp -106.75 124.18 49.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.3 OUTLIER -108.64 163.13 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 0.8 OUTLIER 38.93 83.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.474 ' OE2' ' HB2' ' A' ' 78' ' ' ALA . 0.0 OUTLIER 166.48 67.86 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -26.88 10.47 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.461 1.769 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -69.92 -35.98 74.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.474 ' HB2' ' OE2' ' A' ' 75' ' ' GLU . . . -48.87 116.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -97.12 -21.32 17.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 110.299 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.2 p -143.27 165.15 28.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.06 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -169.81 162.14 9.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -89.37 145.26 25.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 110.342 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.466 HG13 ' CB ' ' A' ' 70' ' ' HIS . 16.0 t -114.14 93.59 31.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 85' ' ' ASP . 18.2 Cg_endo -74.99 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.462 1.769 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.554 ' O ' HD23 ' A' ' 86' ' ' LEU . 21.8 t0 40.13 69.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.763 HD12 HG13 ' A' ' 34' ' ' VAL . 19.7 mt -122.29 150.58 42.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -87.58 115.29 62.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.421 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.3 Cg_endo -74.98 155.72 43.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.402 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 35.1 t80 47.75 42.34 15.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.953 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.4 m -147.43 136.4 22.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 57.0 m -74.4 114.08 12.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 108.256 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.773 ' OH ' HG22 ' A' ' 57' ' ' VAL . 2.2 m-85 -135.34 158.3 44.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 110.968 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.557 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 4.0 t -119.54 177.12 5.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.401 ' CG ' ' C ' ' A' ' 93' ' ' SER . 59.6 m-85 -156.8 135.13 11.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.601 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 5.6 ptp180 -122.63 -170.35 2.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.64 ' HG3' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -131.61 166.36 21.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.442 ' HD3' ' CG2' ' A' ' 104' ' ' THR . 6.6 mtt180 -170.25 143.97 2.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.619 ' HB3' HD12 ' A' ' 48' ' ' ILE . 70.5 mt-30 -113.81 138.47 50.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 1.041 HG22 ' OG1' ' A' ' 104' ' ' THR . 55.5 t -127.75 120.56 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' A' ' 103' ' ' GLY . 34.4 p-10 -123.68 174.34 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.45 HG22 ' H ' ' A' ' 101' ' ' ILE . 1.2 tt -54.89 -18.87 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.555 HG22 ' HG2' ' A' ' 15' ' ' PRO . 38.2 t -80.44 -73.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' ' OD1' ' A' ' 100' ' ' ASN . . . -164.09 -144.29 3.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.431 1.082 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 1.041 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -130.59 148.15 52.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.767 . . . . 0.0 110.408 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.408 ' CB ' ' CD ' ' A' ' 106' ' ' PRO . 0.0 OUTLIER -82.05 173.78 7.1 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.984 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 105' ' ' SER . 18.4 Cg_endo -75.01 168.09 25.6 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.477 1.777 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.407 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -75.02 136.1 19.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.1 t -94.8 149.44 21.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.8 147.84 0.39 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 149.26 36.28 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.0 p -77.61 155.5 31.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.028 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -43.66 149.35 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.44 139.11 51.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.484 ' HB ' HD13 ' A' ' 29' ' ' ILE . 2.0 pp -139.57 176.09 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.6 118.87 20.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 22.5 p -68.96 149.8 48.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 54.1 mt -68.02 173.24 4.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -86.88 136.42 32.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.8 t -74.3 158.02 34.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.045 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -179.81 176.47 47.53 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 58.87 5.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.448 1.762 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.45 122.57 30.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.031 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.16 -58.01 2.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.48 -52.86 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 0.737 . . . . 0.0 109.968 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m 52.97 80.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.24 -78.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -64.45 166.5 8.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 110.02 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 p -68.7 166.77 16.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.65 -144.06 5.03 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.2 p -122.02 -44.22 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.41 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 mt -75.8 -63.39 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.9 p -174.68 150.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.2 85.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.21 -156.11 1.1 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.571 HG13 ' HD2' ' A' ' 14' ' ' PRO . 62.4 t -114.49 141.74 27.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.571 ' HD2' HG13 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 147.93 34.57 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.432 1.754 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.491 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -75.04 161.42 38.66 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.929 ' O ' HG21 ' A' ' 102' ' ' VAL . 43.7 mt-10 -111.59 175.74 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.522 HD21 ' HA3' ' A' ' 103' ' ' GLY . 12.2 mt -77.76 154.96 80.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -166.37 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.541 1.811 . . . . 0.0 111.053 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -127.34 164.82 20.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 120.11 5.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.97 37.39 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.465 1.771 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.7 p -124.85 -166.3 1.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.359 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 m120 61.49 31.7 18.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.67 133.07 42.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.626 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -152.22 153.56 24.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.495 HG22 ' CG1' ' A' ' 29' ' ' ILE . 10.5 mm -110.61 117.51 55.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.9 t -129.48 166.13 20.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 42.2 55.79 3.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.495 ' CG1' HG22 ' A' ' 26' ' ' ILE . 8.5 mt -71.27 100.55 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.74 -168.57 39.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -50.04 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -128.64 11.28 6.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.09 139.04 23.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.97 HG13 HD12 ' A' ' 86' ' ' LEU . 1.5 m -143.69 161.86 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 m -106.37 120.1 40.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 25' ' ' GLY . 0.4 OUTLIER -106.94 122.61 46.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -101.11 143.03 31.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.548 ' CE2' ' HE1' ' A' ' 96' ' ' MET . 11.3 p90 -154.22 -174.73 5.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -149.87 130.65 7.08 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 109.87 3.01 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.45 -54.53 25.84 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.443 1.09 . . . . 0.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.564 ' CE2' ' HA2' ' A' ' 44' ' ' GLY . 47.9 t80 -157.61 137.69 12.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -81.48 -61.52 1.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.564 ' HA2' ' CE2' ' A' ' 42' ' ' TYR . . . 119.81 33.81 1.04 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 44' ' ' GLY . 5.3 mttt 89.09 -22.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.8 t -127.85 130.57 48.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.0 p -55.59 -179.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.596 HD12 ' HB3' ' A' ' 98' ' ' GLN . 19.7 mm -90.84 146.12 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.2 m -98.17 -27.67 14.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.483 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -171.22 143.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.45 ' CH2' HG13 ' A' ' 48' ' ' ILE . 13.2 m95 -99.64 143.61 29.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.005 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.958 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -112.49 133.21 54.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.2 t -127.51 104.8 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -101.13 164.64 11.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -151.34 163.86 37.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -120.14 140.24 51.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.805 HG22 ' OH ' ' A' ' 92' ' ' TYR . 26.3 t -80.44 128.21 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.992 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.78 -96.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 57' ' ' VAL . 98.4 t -40.77 107.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.992 HG23 ' O ' ' A' ' 58' ' ' GLY . 84.3 t -111.39 79.27 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -169.74 168.93 41.73 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.37 170.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.47 -48.66 3.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.72 164.04 25.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.71 157.68 16.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.602 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 8.5 m95 -111.26 114.37 27.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 107.968 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.8 mt -104.54 158.44 16.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.958 HD13 ' HG ' ' A' ' 52' ' ' LEU . 5.2 tp -78.05 152.49 32.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.439 ' N ' ' HG ' ' A' ' 68' ' ' LEU . 3.4 pt -136.99 -47.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.732 ' CB ' HG13 ' A' ' 83' ' ' VAL . 85.5 t60 -127.65 140.22 52.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.611 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.556 ' HB3' HD11 ' A' ' 68' ' ' LEU . 18.8 pt20 -149.19 124.84 10.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.3 tp -103.55 114.34 28.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 74' ' ' ASN . 3.6 m -98.18 155.53 17.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 73' ' ' SER . 3.5 t30 40.21 84.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 173.07 65.05 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -2.51 12.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.468 1.772 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.05 48.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.07 99.52 6.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -65.04 -36.55 84.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.238 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.4 p -143.74 167.71 21.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.9 ptp -160.28 157.93 28.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.487 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 12.8 tt0 -87.87 140.14 29.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.253 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.732 HG13 ' CB ' ' A' ' 70' ' ' HIS . 24.4 t -114.09 93.58 30.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.423 ' HD2' ' ND1' ' A' ' 70' ' ' HIS . 18.3 Cg_endo -75.0 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.568 ' O ' HD23 ' A' ' 86' ' ' LEU . 2.6 t70 44.86 63.75 1.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.97 HD12 HG13 ' A' ' 34' ' ' VAL . 17.3 mt -120.38 140.79 50.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -86.29 114.2 56.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.489 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.2 Cg_endo -75.02 150.2 37.72 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.426 1.751 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.6 t80 62.58 36.99 13.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.1 m -147.71 136.28 21.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.389 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 57.4 m -74.61 114.04 12.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.281 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.805 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.3 m-85 -133.46 160.42 37.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.506 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -119.13 175.27 5.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.983 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 93' ' ' SER . 58.6 m-85 -154.41 141.83 19.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.602 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 4.5 ptp180 -130.97 -169.93 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.548 ' HE1' ' CE2' ' A' ' 38' ' ' PHE . 22.5 mmm -141.24 159.9 41.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -160.11 155.68 25.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.596 ' HB3' HD12 ' A' ' 48' ' ' ILE . 61.8 mt-30 -119.5 136.06 54.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.476 HG22 ' OG1' ' A' ' 104' ' ' THR . 10.7 t -124.48 121.23 61.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 36.2 p30 -132.86 179.56 6.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.407 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.4 OUTLIER -60.27 -15.14 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.929 HG21 ' O ' ' A' ' 16' ' ' GLU . 19.9 t -80.25 -63.71 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.522 ' HA3' HD21 ' A' ' 17' ' ' LEU . . . -177.37 -151.29 9.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.476 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -122.52 114.75 21.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 0.0 110.427 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.22 166.05 0.45 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 173.94 13.63 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.418 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.3 Cg_endo -75.01 136.81 20.86 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 t -93.97 164.31 13.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.057 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.05 132.62 22.92 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 152.67 41.38 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.487 1.782 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.1 p -79.02 159.0 27.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.023 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -57.58 157.41 7.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.97 114.0 4.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.429 HD11 ' HE2' ' A' ' 94' ' ' PHE . 1.5 pp -107.25 166.29 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -122.14 116.09 23.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 p -72.87 150.81 42.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.386 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.489 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 36.0 mt -65.34 174.4 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -90.27 148.52 22.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 t -101.74 145.03 29.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 117.65 163.45 12.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.138 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 57.37 4.54 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.3 t -40.29 141.89 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.54 81.48 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.972 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -97.94 163.48 12.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 0.798 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 p -46.64 112.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.987 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.03 120.12 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.507 1.13 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 p -158.4 82.59 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 0.731 . . . . 0.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.18 149.77 40.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.58 104.9 0.47 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 t -103.43 151.43 22.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 110.449 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.6 mt -94.51 104.5 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.27 -22.57 32.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.051 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.9 t -153.62 -59.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.986 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.82 -116.85 0.83 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.462 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 39.7 t -116.45 140.5 26.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.462 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.05 147.33 33.59 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.532 1.806 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 18.4 Cg_endo -74.94 164.21 33.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 75.5 mm-40 -122.43 -179.32 4.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.476 HD21 ' CA ' ' A' ' 103' ' ' GLY . 7.3 mt -82.26 152.84 68.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.3 Cg_endo -75.01 -163.11 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.477 1.777 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.25 169.31 21.79 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 116.92 4.73 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.773 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 142.87 28.33 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.462 1.77 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.7 p -121.65 -165.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m120 64.86 25.42 12.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 96' ' ' MET . 0.1 OUTLIER -69.32 137.15 52.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.498 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -148.91 163.94 29.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.609 HD13 ' HG ' ' A' ' 36' ' ' LEU . 4.9 mm -127.04 105.41 13.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.289 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 98.5 p -121.36 172.87 7.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 41.59 54.03 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.519 ' CG1' HG22 ' A' ' 26' ' ' ILE . 27.5 mt -71.28 101.27 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.51 -168.58 42.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -44.29 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -135.3 12.39 3.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.16 139.65 23.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.957 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.661 HG13 HD12 ' A' ' 86' ' ' LEU . 1.4 m -144.02 164.67 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.2 m -106.14 116.11 31.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.609 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -101.88 116.32 32.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -99.71 142.4 31.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.418 ' CE1' ' HE3' ' A' ' 81' ' ' MET . 29.8 p90 -154.03 178.51 9.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.06 131.64 10.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.344 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 106.84 2.35 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.04 -63.5 3.79 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 2.2 t80 -136.2 101.28 4.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 0.732 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.53 -50.51 71.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.478 ' O ' HG22 ' A' ' 46' ' ' THR . . . 109.67 43.77 1.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt 54.85 32.97 18.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 44' ' ' GLY . 6.9 t -170.59 126.78 0.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 110.415 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.1 m -59.1 147.99 32.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.41 HG13 ' CH2' ' A' ' 51' ' ' TRP . 7.3 mm -65.86 141.8 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.9 -28.63 17.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.97 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.441 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -168.42 141.54 3.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.237 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.41 ' CH2' HG13 ' A' ' 48' ' ' ILE . 32.5 m95 -98.94 135.22 40.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 108.008 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.901 ' HG ' HD13 ' A' ' 68' ' ' LEU . 1.2 tp -106.58 130.54 54.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.8 t -125.11 104.76 13.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.456 ' OE2' ' N ' ' A' ' 68' ' ' LEU . 3.3 mt-10 -98.85 166.4 11.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.543 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -162.57 155.3 19.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.453 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 1.5 mt-30 -116.75 131.9 56.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.776 HG13 ' OH ' ' A' ' 92' ' ' TYR . 46.5 t -72.04 133.57 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.522 ' O ' HG12 ' A' ' 60' ' ' VAL . . . 37.48 -95.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.649 ' O ' HG13 ' A' ' 59' ' ' VAL . 7.4 p -52.64 98.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.784 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.944 HG21 ' HB2' ' A' ' 93' ' ' SER . 3.3 p -126.63 80.07 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -153.17 167.37 31.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.03 111.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 110.334 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 147.79 -38.16 1.07 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.41 178.35 5.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.77 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -104.66 170.05 8.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.596 ' CG ' ' NH2' ' A' ' 95' ' ' ARG . 8.3 m95 -120.14 133.23 55.56 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 66' ' ' TRP . 12.0 mt -119.27 154.56 33.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.901 HD13 ' HG ' ' A' ' 52' ' ' LEU . 1.2 tp -75.87 149.71 37.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.501 HD13 ' HB3' ' A' ' 55' ' ' ALA . 3.5 pt -134.46 -45.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.569 ' CD2' ' O ' ' A' ' 82' ' ' GLU . 28.8 t60 -130.69 139.82 50.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.592 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.678 ' HB3' HD11 ' A' ' 68' ' ' LEU . 14.1 pt20 -146.16 128.43 15.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 75' ' ' GLU . 23.8 tp -103.59 116.56 32.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.6 m -99.39 154.77 17.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.982 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 40.49 84.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.52 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.0 OUTLIER 169.91 66.3 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -20.0 17.23 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -77.41 -37.21 52.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.48 ' CB ' HD21 ' A' ' 72' ' ' LEU . . . -43.92 116.74 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -27.25 17.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.246 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.8 p -143.1 162.88 34.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.418 ' HE3' ' CE1' ' A' ' 38' ' ' PHE . 3.5 ptt? -164.42 162.11 21.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.569 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 13.3 tt0 -89.86 146.09 24.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.542 ' O ' HD11 ' A' ' 86' ' ' LEU . 11.1 t -116.97 94.21 43.97 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.422 ' HD2' ' ND1' ' A' ' 70' ' ' HIS . 18.4 Cg_endo -74.98 -163.27 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.412 ' O ' HD23 ' A' ' 86' ' ' LEU . 7.2 m-20 47.22 60.08 3.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.661 HD12 HG13 ' A' ' 34' ' ' VAL . 58.3 mt -119.39 142.69 47.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -87.13 121.42 71.49 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.44 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.4 Cg_endo -74.98 154.59 42.72 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.6 t80 49.65 42.59 23.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 99.6 m -147.65 138.21 23.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.432 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 58.8 m -74.37 120.37 19.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 108.308 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.776 ' OH ' HG13 ' A' ' 57' ' ' VAL . 2.0 m-85 -139.4 156.78 46.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.16 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.944 ' HB2' HG21 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -119.35 171.32 8.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.051 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.422 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 79.7 m-85 -154.37 144.91 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.596 ' NH2' ' CG ' ' A' ' 66' ' ' TRP . 6.2 ptp180 -133.3 -172.55 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.479 ' HB2' HD11 ' A' ' 24' ' ' LEU . 22.9 mmm -140.23 159.73 41.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -155.7 163.73 39.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -128.39 128.17 43.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.962 HG22 ' OG1' ' A' ' 104' ' ' THR . 23.6 t -118.49 127.95 75.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 103' ' ' GLY . 47.6 p-10 -133.98 178.03 7.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.44 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.1 OUTLIER -53.01 -34.48 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 85.4 t -65.29 -75.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.476 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -162.3 -154.59 7.62 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.962 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -118.0 129.94 55.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.764 . . . . 0.0 110.374 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.7 166.55 7.26 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 173.8 13.88 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.413 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.2 Cg_endo -74.97 135.9 19.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.448 1.762 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.9 t -94.26 167.76 11.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.965 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -55.46 134.41 70.47 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.263 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 153.47 41.46 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.0 p -78.6 145.86 34.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.406 ' O ' HG23 ' A' ' 114' ' ' ILE . 0.9 OUTLIER -45.38 156.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 110.282 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 115.93 4.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 112' ' ' ARG . 1.1 pp -106.14 172.18 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -131.85 108.88 9.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.44 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 70.1 p -66.47 167.15 11.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.402 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 23.1 mt -82.65 176.72 9.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -93.51 147.58 22.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.359 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.8 t -104.25 90.32 3.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -144.49 179.37 21.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 168.43 24.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.5 t -127.2 96.69 4.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.027 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 33.0 p -116.87 122.74 45.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -164.58 136.74 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 110.01 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.53 116.11 2.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.11 -132.28 6.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.21 104.92 5.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 109.98 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -176.91 160.45 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.98 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.09 -134.34 11.73 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.1 p -62.7 177.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.379 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 tt -93.34 145.23 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.117 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.2 t -111.73 -62.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 m 74.43 -68.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.26 123.4 32.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.7 p -66.45 134.06 94.45 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.02 147.44 33.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.474 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.4 Cg_endo -74.97 160.42 40.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.443 1.759 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.487 ' O ' HG21 ' A' ' 102' ' ' VAL . 77.6 mm-40 -116.31 177.39 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.534 HD21 ' CA ' ' A' ' 103' ' ' GLY . 7.4 mt -77.65 150.77 79.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.494 ' CG ' ' HB3' ' A' ' 98' ' ' GLN . 18.2 Cg_endo -75.03 -165.56 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.471 1.774 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.92 168.76 21.18 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 119.47 5.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 135.85 19.54 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.481 1.78 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.4 p -109.56 -166.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.368 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 61.47 30.86 19.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.42 131.18 41.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -150.31 146.78 16.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.611 HD13 ' HG ' ' A' ' 36' ' ' LEU . 3.3 mm -113.68 106.66 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 0.749 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.6 m -120.17 172.25 7.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 47.35 53.99 10.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.474 HD13 ' HB ' ' A' ' 114' ' ' ILE . 24.2 mt -75.1 100.88 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.36 -160.41 29.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 110.961 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -50.31 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.518 1.799 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.09 12.78 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.434 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 2.5 m -143.19 146.1 33.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.859 HG13 HD12 ' A' ' 86' ' ' LEU . 1.5 m -151.64 160.33 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 52.6 m -99.09 133.85 42.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.424 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.611 ' HG ' HD13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -115.41 132.16 56.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -120.52 140.75 51.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 38' ' ' PHE . 11.5 p90 -156.07 -171.12 3.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.6 mtt85 -153.69 133.71 7.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 105.8 2.15 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.449 1.762 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.35 -65.18 3.43 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.479 ' CZ ' ' HA2' ' A' ' 44' ' ' GLY . 8.1 t80 -142.7 91.91 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 42' ' ' TYR . 61.5 m-20 -40.37 -61.72 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.479 ' HA2' ' CZ ' ' A' ' 42' ' ' TYR . . . 121.7 37.93 0.64 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 58.33 36.7 25.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -171.43 118.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 p -47.04 146.94 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.579 HG13 ' CH2' ' A' ' 51' ' ' TRP . 5.5 mm -65.75 143.73 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.55 -39.31 12.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.038 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -171.2 141.88 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.579 ' CH2' HG13 ' A' ' 48' ' ' ILE . 4.9 m95 -97.18 137.82 35.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 107.995 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.936 ' HG ' HD13 ' A' ' 68' ' ' LEU . 1.2 tp -107.76 128.57 54.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 t -121.52 106.2 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -101.91 171.57 7.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -161.4 158.65 27.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -116.65 158.66 23.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.853 HG22 ' OH ' ' A' ' 92' ' ' TYR . 93.3 t -96.18 127.61 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.895 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.55 -95.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 57' ' ' VAL . 53.7 t -41.17 98.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.306 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 58' ' ' GLY . 65.8 t -98.37 84.83 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -125.82 176.55 17.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -92.47 -22.94 19.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.266 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.23 -40.48 99.11 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.28 136.77 36.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.488 ' HG3' ' CD2' ' A' ' 67' ' ' LEU . 1.7 pt-20 -62.77 -177.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.43 ' CD1' ' NH2' ' A' ' 95' ' ' ARG . 8.2 m95 -126.95 128.89 47.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 107.982 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.488 ' CD2' ' HG3' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -103.74 149.51 24.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.936 HD13 ' HG ' ' A' ' 52' ' ' LEU . 3.1 tp -76.7 151.04 36.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.452 HD11 HG11 ' A' ' 83' ' ' VAL . 6.6 pt -136.42 -45.67 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.744 ' CB ' HG13 ' A' ' 83' ' ' VAL . 69.8 t60 -130.81 139.48 50.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.631 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.678 ' HB3' HD11 ' A' ' 68' ' ' LEU . 15.5 pt20 -147.58 123.22 10.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.0 tp -103.76 116.71 32.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 m -103.29 154.5 19.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.997 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.403 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 8.9 t-20 48.14 84.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.426 ' CD ' ' HB2' ' A' ' 78' ' ' ALA . 0.0 OUTLIER 167.59 70.71 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -23.38 13.82 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.504 1.792 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.32 -37.32 60.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.426 ' HB2' ' CD ' ' A' ' 75' ' ' GLU . . . -42.58 130.04 4.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.1 mmt-85 -112.93 -23.84 9.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.8 p -143.41 152.53 41.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.965 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -156.69 158.07 36.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.443 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 14.8 tt0 -88.14 146.84 25.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.744 HG13 ' CB ' ' A' ' 70' ' ' HIS . 3.8 t -119.38 92.99 46.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -164.42 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.51 ' O ' HD23 ' A' ' 86' ' ' LEU . 8.0 t0 43.88 67.46 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.859 HD12 HG13 ' A' ' 34' ' ' VAL . 11.7 mt -118.63 150.65 39.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -86.44 113.68 53.77 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.425 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.4 Cg_endo -74.97 154.7 42.83 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.519 1.8 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.6 t80 49.54 38.99 15.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.0 m -146.47 136.26 23.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.418 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 57.6 m -75.25 114.32 13.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 108.339 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.853 ' OH ' HG22 ' A' ' 57' ' ' VAL . 2.0 m-85 -131.76 159.74 37.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.493 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 22.8 p -119.51 171.28 8.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -151.78 143.48 23.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.43 ' NH2' ' CD1' ' A' ' 66' ' ' TRP . 4.3 ptp180 -132.1 -172.46 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.259 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.401 ' HE1' ' CE2' ' A' ' 38' ' ' PHE . 15.3 mmm -137.89 160.29 39.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.418 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 71.2 mtt180 -154.14 148.94 26.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.494 ' HB3' ' CG ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -117.56 127.9 54.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 1.047 HG22 ' OG1' ' A' ' 104' ' ' THR . 59.2 t -120.97 130.36 74.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 43.0 p30 -135.02 -179.93 5.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -58.22 -16.77 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 16' ' ' GLU . 43.7 t -82.17 -79.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.534 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -159.48 -149.16 5.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 1.047 ' OG1' HG22 ' A' ' 99' ' ' VAL . 1.0 OUTLIER -125.66 131.57 52.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 110.456 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.98 172.05 6.37 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.959 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 174.01 13.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.418 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 18.5 Cg_endo -75.02 137.82 22.18 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.502 1.79 . . . . 0.0 111.046 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 t -94.03 156.64 16.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.76 136.52 2.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 151.14 38.97 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.487 1.783 . . . . 0.0 111.047 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.0 p -76.92 140.82 40.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.961 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 65.3 mtt-85 -39.39 155.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 115.26 7.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.474 ' HB ' HD13 ' A' ' 29' ' ' ILE . 2.0 pp -110.3 177.01 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -128.27 127.0 41.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 110.317 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.425 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 21.9 p -84.58 146.1 27.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.431 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 33.0 mt -68.99 173.32 5.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -79.23 144.59 34.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t -79.76 159.92 26.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 89.73 -165.21 31.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.433 1.083 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 175.03 11.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.2 t -163.72 164.56 23.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 92.3 p -116.05 134.56 54.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 111.023 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.18 154.96 21.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 110.023 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 p -159.57 155.7 26.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.128 . . . . 0.0 109.99 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.73 173.72 24.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.472 1.107 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 t -162.2 132.67 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 109.943 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -152.73 94.89 1.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.946 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.31 132.55 7.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -121.39 152.37 39.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 0.788 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 14.6 tt -95.42 120.28 44.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.4 t -172.29 -55.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.93 108.48 4.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.96 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.55 122.17 1.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.1 p -92.9 126.67 50.61 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -74.98 147.79 34.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.489 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -74.93 167.42 27.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.74 ' O ' HG21 ' A' ' 102' ' ' VAL . 74.6 mm-40 -122.4 -176.33 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.504 HD21 ' CA ' ' A' ' 103' ' ' GLY . 7.7 mt -84.99 151.06 56.82 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.2 Cg_endo -75.0 -162.45 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.498 1.788 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.54 164.7 21.66 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 118.29 5.22 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.66 19.34 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.772 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.9 p -111.46 -166.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.382 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 62.19 36.46 14.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.34 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.26 132.12 38.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.575 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -153.3 147.55 17.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.667 HG22 ' CG1' ' A' ' 29' ' ' ILE . 22.8 mm -101.32 116.27 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.6 p -128.07 167.64 16.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 109.969 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 41.69 53.18 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.667 ' CG1' HG22 ' A' ' 26' ' ' ILE . 6.2 mt -70.47 100.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.42 ' H ' HG12 ' A' ' 34' ' ' VAL . . . -82.91 -165.66 37.85 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -55.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -123.21 -1.63 8.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.16 129.8 34.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.835 HG13 HD12 ' A' ' 86' ' ' LEU . 3.2 m -133.39 168.54 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 21.7 m -114.64 131.77 56.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -114.19 126.12 54.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -104.34 146.63 28.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -165.71 -169.77 1.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.6 mtt85 -147.58 131.8 8.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 101.47 1.47 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.52 -77.93 0.15 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 4.3 t80 -125.49 108.01 11.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 0.735 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -59.41 -40.2 85.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.79 34.52 3.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt 59.2 31.47 21.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 0.736 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.4 t -166.31 128.59 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.434 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.8 p -53.5 149.06 8.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 109.99 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.46 HG13 ' CH2' ' A' ' 51' ' ' TRP . 10.8 mm -75.04 136.68 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 t -83.63 -39.75 19.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.456 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -166.87 141.53 4.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.46 ' CH2' HG13 ' A' ' 48' ' ' ILE . 5.8 m95 -97.44 142.72 28.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 108.014 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.908 ' HG ' HD13 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -109.04 136.77 48.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.435 ' O ' HD12 ' A' ' 68' ' ' LEU . 46.9 t -129.61 105.02 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -101.87 159.68 15.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.607 ' HB3' HG21 ' A' ' 69' ' ' ILE . . . -148.55 164.32 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.438 ' CD ' ' NE1' ' A' ' 66' ' ' TRP . 2.0 tt0 -122.87 138.25 54.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.825 HG22 ' OH ' ' A' ' 92' ' ' TYR . 28.3 t -77.47 125.85 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.956 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.98 -95.86 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.542 1.151 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' VAL . 3.1 p -39.99 101.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.557 0.798 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 58' ' ' GLY . 78.2 t -103.09 80.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -138.74 -153.25 6.12 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -100.08 -46.65 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 110.313 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -37.75 -47.16 1.73 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.468 1.105 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.414 ' HG3' ' CG1' ' A' ' 59' ' ' VAL . 2.4 mm-40 -77.17 150.54 35.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 0.737 . . . . 0.0 110.339 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.36 166.83 18.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.523 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 7.0 m95 -116.59 108.46 15.98 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 67' ' ' LEU . 12.1 mt -99.37 155.49 17.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.908 HD13 ' HG ' ' A' ' 52' ' ' LEU . 13.0 tp -75.32 154.2 37.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.607 HG21 ' HB3' ' A' ' 55' ' ' ALA . 2.2 pt -135.7 -48.31 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.704 ' CB ' HG13 ' A' ' 83' ' ' VAL . 85.7 t60 -127.19 147.4 50.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.621 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.631 ' OE1' HD21 ' A' ' 68' ' ' LEU . 15.6 pt20 -156.17 123.21 5.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 29.9 tp -103.6 114.85 29.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.5 133.92 45.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.9 t30 68.65 83.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.67 71.03 0.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 1.05 8.17 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.512 1.796 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -127.18 38.48 4.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -110.56 79.73 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -54.75 -30.31 56.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.097 . . . . 0.0 110.269 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.9 p -143.3 174.31 10.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.1 ptp -168.35 160.35 11.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 111.051 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.532 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 13.8 tt0 -87.55 139.3 30.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.704 HG13 ' CB ' ' A' ' 70' ' ' HIS . 6.2 t -113.45 94.35 31.37 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -165.46 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 40.42 72.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.835 HD12 HG13 ' A' ' 34' ' ' VAL . 76.3 mt -122.97 149.9 43.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -86.26 117.45 68.71 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 151.52 39.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 46.5 44.03 12.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 98.0 m -147.41 139.64 24.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 41.4 m -76.57 126.38 30.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 108.259 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.825 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.9 m-85 -144.83 164.86 29.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.569 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 1.6 t -119.51 173.65 6.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 93' ' ' SER . 54.3 m-85 -157.1 132.37 9.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.523 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -122.47 -167.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 18.9 mmm -143.25 158.2 43.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -159.39 154.21 24.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.46 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 62.5 mt-30 -118.56 141.61 48.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.529 HG22 ' OG1' ' A' ' 104' ' ' THR . 21.6 t -128.8 126.13 64.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -134.18 -179.5 5.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -61.06 -13.13 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.74 HG21 ' O ' ' A' ' 16' ' ' GLU . 64.9 t -83.07 -82.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.504 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -159.11 -168.03 20.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.529 ' OG1' HG22 ' A' ' 99' ' ' VAL . 1.0 OUTLIER -108.33 115.22 29.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.733 . . . . 0.0 110.369 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.86 169.08 0.93 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.952 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 174.25 13.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.802 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 140.15 25.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.554 1.818 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.8 p -94.02 161.7 14.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -44.91 129.39 5.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.97 41.43 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.512 1.796 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.5 p -83.86 154.83 23.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -53.85 159.46 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.61 126.22 29.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.3 pp -117.55 164.66 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.62 113.49 22.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 42.3 p -72.55 153.78 41.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 110.364 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.406 HD12 ' HA2' ' A' ' 30' ' ' GLY . 14.1 mt -64.55 179.45 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -66.37 170.17 6.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.1 p -79.75 133.45 36.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.0 177.61 9.13 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 124.05 8.35 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.461 1.769 . . . . 0.0 111.014 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.86 -55.15 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.2 m 60.43 161.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.564 1.165 . . . . 0.0 111.023 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.29 100.97 13.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.98 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 p 54.08 170.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.41 -133.8 1.9 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -156.07 109.18 2.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 0.725 . . . . 0.0 109.992 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.03 171.61 14.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.16 -163.44 38.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.2 p -90.07 69.4 7.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.759 . . . . 0.0 110.388 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -119.8 164.66 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.58 104.37 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.63 108.53 4.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.17 71.1 0.91 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 p -47.27 125.52 9.23 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -74.96 147.87 34.69 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.484 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.3 Cg_endo -75.06 164.99 32.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.885 ' O ' HG21 ' A' ' 102' ' ' VAL . 55.4 mt-10 -115.62 175.61 5.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.526 HD21 ' HA3' ' A' ' 103' ' ' GLY . 11.1 mt -76.73 154.33 83.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.3 Cg_endo -75.0 -169.72 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.556 1.819 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 42' ' ' TYR . . . -124.33 163.87 17.94 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.58 6.13 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.433 1.754 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 142.56 27.87 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.554 1.818 . . . . 0.0 110.961 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 p -118.33 -168.7 1.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 60.12 36.03 21.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 96' ' ' MET . 0.1 OUTLIER -75.39 147.53 39.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.57 135.88 2.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.523 ' CD1' ' CB ' ' A' ' 111' ' ' SER . 5.3 mp -104.33 131.38 53.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.789 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.8 p -132.99 165.6 24.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 54.26 46.13 25.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.481 HD13 ' HB ' ' A' ' 114' ' ' ILE . 49.7 mt -64.19 113.61 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.91 -160.79 36.87 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -52.75 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -129.07 13.21 6.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -145.75 142.89 29.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.967 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.738 HG13 HD12 ' A' ' 86' ' ' LEU . 1.5 m -146.38 172.36 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 26' ' ' ILE . 28.3 m -112.45 122.42 47.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.365 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.467 HD11 ' HB3' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -102.77 125.09 49.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -107.04 156.06 19.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.409 ' CE2' ' HE1' ' A' ' 96' ' ' MET . 24.1 p90 -175.53 -170.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -155.92 133.85 6.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 112.8 3.65 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.527 1.804 . . . . 0.0 111.03 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.08 -72.89 0.92 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 19' ' ' GLY . 1.8 t80 -127.72 98.41 5.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.789 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.27 -51.18 59.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.0 50.71 0.67 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt 48.41 36.17 6.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 t -172.28 138.63 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 m -68.97 150.74 47.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.571 HG13 ' CH2' ' A' ' 51' ' ' TRP . 4.8 mm -72.14 137.89 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.26 -31.31 23.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.029 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -170.69 140.55 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.571 ' CH2' HG13 ' A' ' 48' ' ' ILE . 14.4 m95 -97.47 130.04 44.61 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.799 ' HG ' HD13 ' A' ' 68' ' ' LEU . 2.7 tp -99.94 138.15 37.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.5 t -128.27 105.07 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.464 ' OE2' ' CZ ' ' A' ' 97' ' ' ARG . 35.5 mt-10 -98.48 172.85 7.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -166.06 162.57 17.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.544 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -121.75 144.64 48.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.925 HG22 ' OH ' ' A' ' 92' ' ' TYR . 49.3 t -79.05 129.56 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.929 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.26 -96.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' VAL . 73.6 t -40.07 115.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.929 HG23 ' O ' ' A' ' 58' ' ' GLY . 97.4 t -117.25 77.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -169.1 170.74 42.68 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -45.71 168.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 110.291 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.12 -46.87 2.65 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.96 154.4 21.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -95.99 160.15 14.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.544 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 8.8 m95 -110.06 120.18 41.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 107.991 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.1 mt -109.26 157.82 18.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.799 HD13 ' HG ' ' A' ' 52' ' ' LEU . 1.1 tp -74.84 149.96 39.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.512 HG21 ' HB3' ' A' ' 55' ' ' ALA . 4.3 pt -133.95 -43.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.741 ' CB ' HG13 ' A' ' 83' ' ' VAL . 69.4 t60 -135.42 144.02 46.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.598 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.63 HE21 HD21 ' A' ' 68' ' ' LEU . 3.9 pt20 -146.8 129.61 16.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.502 HD21 ' CB ' ' A' ' 78' ' ' ALA . 31.7 tp -104.14 106.42 16.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.7 m -96.08 146.26 24.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 50.46 82.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.405 ' HB3' HD21 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 169.74 66.58 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 110.24 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.46 8.89 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.66 54.77 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.502 ' CB ' HD21 ' A' ' 72' ' ' LEU . . . -127.27 99.72 5.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.44 ' NH1' ' HB2' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -64.7 -36.51 84.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.4 p -143.41 170.77 15.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -164.91 157.59 16.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.459 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 19.5 tt0 -85.01 138.67 32.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.741 HG13 ' CB ' ' A' ' 70' ' ' HIS . 10.9 t -113.74 94.19 31.91 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -165.49 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.529 1.804 . . . . 0.0 111.035 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.2 t70 40.41 75.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.738 HD12 HG13 ' A' ' 34' ' ' VAL . 36.7 mt -126.87 153.78 45.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -87.28 113.79 55.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.411 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.4 Cg_endo -74.98 153.25 41.73 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 5.8 t80 48.39 40.98 15.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.8 m -147.44 139.31 24.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 33.1 m -74.52 131.66 41.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 108.347 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.925 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.8 m-85 -151.2 163.46 38.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.549 ' O ' ' CD1' ' A' ' 94' ' ' PHE . 4.5 t -119.58 175.5 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 93' ' ' SER . 54.7 m-85 -157.25 135.7 11.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.428 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -129.07 -176.25 3.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.439 ' HB2' HD11 ' A' ' 24' ' ' LEU . 15.2 mmm -133.86 160.31 38.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.464 ' CZ ' ' OE2' ' A' ' 54' ' ' GLU . 59.1 mtt180 -156.48 157.41 35.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.254 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.408 ' HB2' ' CG ' ' A' ' 18' ' ' PRO . 38.9 mt-30 -123.53 131.5 53.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.968 HG22 ' OG1' ' A' ' 104' ' ' THR . 90.0 t -121.35 124.11 71.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.8 p30 -132.89 -179.31 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.95 -13.41 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.885 HG21 ' O ' ' A' ' 16' ' ' GLU . 20.1 t -82.03 -71.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.526 ' HA3' HD21 ' A' ' 17' ' ' LEU . . . -166.02 -149.69 6.01 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.557 1.161 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.968 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -125.29 111.02 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 0.0 110.385 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 p -50.39 162.89 0.49 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.99 13.57 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.408 ' HB2' ' NH1' ' A' ' 95' ' ' ARG . 18.4 Cg_endo -74.96 137.54 21.95 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.9 t -94.26 158.75 15.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -39.81 132.47 1.44 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.17 43.0 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.523 ' CB ' ' CD1' ' A' ' 26' ' ' ILE . 80.7 p -77.17 163.8 26.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.43 ' O ' HG23 ' A' ' 114' ' ' ILE . 2.6 mtt-85 -65.63 162.41 18.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.403 ' HE2' HG11 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -65.68 116.24 6.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.481 ' HB ' HD13 ' A' ' 29' ' ' ILE . 1.3 pp -111.4 179.22 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -138.98 125.94 21.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.411 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 32.7 p -85.4 149.83 25.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 23.7 mt -71.96 176.24 5.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -84.63 141.6 30.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 t -75.62 -66.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.06 171.51 35.15 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.27 40.38 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.552 1.817 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 m -128.83 96.61 4.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.22 119.18 19.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.8 p -96.67 168.4 10.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -146.26 157.86 43.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.584 1.177 . . . . 0.0 109.964 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.84 -120.85 0.7 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.142 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.53 167.78 12.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -146.46 121.91 10.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.015 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' C ' ' CG2' ' A' ' 8' ' ' THR . . . -96.04 -110.76 2.59 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.413 ' CG2' ' C ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER 39.06 88.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.741 . . . . 0.0 110.404 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 pp -86.7 120.08 35.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.4 m -135.4 138.88 43.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 110.032 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.73 115.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 13' ' ' VAL . . . -44.36 108.3 0.18 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.125 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.731 HG13 ' HD2' ' A' ' 14' ' ' PRO . 59.9 t 60.97 143.73 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.731 ' HD2' HG13 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.93 148.05 35.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.468 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.1 Cg_endo -75.08 163.53 34.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.794 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 83.0 mt-10 -122.38 174.55 6.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.497 HD21 ' CA ' ' A' ' 103' ' ' GLY . 8.4 mt -76.91 151.48 82.1 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.432 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.0 Cg_endo -75.05 -161.88 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -129.42 167.1 21.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 120.75 6.2 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.777 . . . . 0.0 111.04 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 142.72 28.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.5 p -118.87 -166.15 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.413 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 m120 65.28 18.11 11.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.498 HD11 ' HG3' ' A' ' 96' ' ' MET . 0.2 OUTLIER -63.69 125.75 25.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.02 150.98 23.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.559 HD13 ' HG ' ' A' ' 36' ' ' LEU . 5.0 mm -108.04 112.96 42.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.0 m -129.09 171.92 11.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.042 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 44.7 46.07 8.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.503 HG12 HD13 ' A' ' 114' ' ' ILE . 7.3 mt -60.14 116.36 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.601 ' H ' HG12 ' A' ' 34' ' ' VAL . . . -101.08 -167.27 28.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -67.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.475 1.776 . . . . 0.0 110.98 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -116.17 12.99 15.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.263 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.28 130.28 11.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.734 HG13 HD12 ' A' ' 86' ' ' LEU . 2.1 m -130.71 178.75 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.4 m -118.31 110.88 18.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.408 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.579 HD11 ' CB ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -93.69 116.92 29.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -96.26 148.92 22.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.534 ' CG ' ' SD ' ' A' ' 96' ' ' MET . 5.7 p90 -166.51 -170.58 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -153.74 131.44 6.22 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 105.09 2.02 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.41 -93.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 6.0 t80 -107.13 104.72 14.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 0.804 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -54.01 -42.89 69.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.4 31.73 3.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt 63.1 28.12 15.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 t -165.87 127.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.6 p -48.95 165.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.965 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.557 HG13 ' CH2' ' A' ' 51' ' ' TRP . 5.4 mm -85.66 145.04 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.7 p -95.1 -41.05 9.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.477 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -164.16 143.98 7.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.557 ' CH2' HG13 ' A' ' 48' ' ' ILE . 18.3 m95 -99.17 139.78 34.32 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.887 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -111.57 129.65 56.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.7 t -121.24 104.91 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -101.43 161.51 13.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.534 ' HB1' ' O ' ' A' ' 93' ' ' SER . . . -163.6 163.72 24.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.547 ' O ' ' CD2' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -121.51 160.82 23.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.27 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.832 HG22 ' OH ' ' A' ' 92' ' ' TYR . 45.8 t -97.51 132.14 42.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.928 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 37.71 -95.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' VAL . 73.3 t -42.57 118.04 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.928 HG23 ' O ' ' A' ' 58' ' ' GLY . 81.5 t -119.05 81.0 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -149.52 158.33 27.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -34.74 70.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.344 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -42.06 -35.22 1.62 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -99.94 168.64 9.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -96.21 169.08 10.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.532 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 5.4 m95 -117.38 121.98 42.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.026 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mt -109.2 151.9 25.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.887 HD13 ' HG ' ' A' ' 52' ' ' LEU . 7.4 tp -76.05 151.44 37.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.458 ' CG1' ' N ' ' A' ' 70' ' ' HIS . 1.1 pt -133.98 -49.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CB ' HG13 ' A' ' 83' ' ' VAL . 51.6 t60 -123.07 154.53 38.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.105 . . . . 0.0 109.591 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.592 ' OE1' HD21 ' A' ' 68' ' ' LEU . 15.0 pt20 -162.29 125.3 2.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.262 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 73' ' ' SER . 43.2 tp -103.4 130.53 50.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.484 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.6 OUTLIER -54.9 -166.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.987 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.484 ' C ' ' O ' ' A' ' 73' ' ' SER . 1.7 m120 -34.38 -87.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' ASN . 0.1 OUTLIER 38.03 69.2 1.53 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -1.67 11.53 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -110.56 33.54 4.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.14 108.04 12.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.478 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -86.18 -25.81 25.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.0 p -143.14 159.82 41.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.436 ' HE1' ' HB2' ' A' ' 51' ' ' TRP . 4.8 ptp -155.36 157.94 37.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -86.11 138.28 32.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.567 HG13 ' CB ' ' A' ' 70' ' ' HIS . 3.8 t -114.08 93.4 30.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -165.87 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.442 1.759 . . . . 0.0 111.031 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.583 ' O ' HD23 ' A' ' 86' ' ' LEU . 51.2 m-20 44.43 66.95 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.734 HD12 HG13 ' A' ' 34' ' ' VAL . 31.5 mt -122.2 153.73 38.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.467 ' OD1' ' CZ ' ' A' ' 92' ' ' TYR . 4.1 m120 -85.78 115.45 61.7 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.432 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.4 Cg_endo -75.0 142.61 28.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.8 t80 56.73 42.7 26.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.7 m -147.85 141.34 25.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.382 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 64.3 m -74.28 128.36 35.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 108.32 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.832 ' OH ' HG22 ' A' ' 57' ' ' VAL . 1.7 m-85 -146.69 150.15 34.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.534 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -119.23 150.02 40.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.579 ' CB ' HD11 ' A' ' 36' ' ' LEU . 56.1 m-85 -134.19 157.28 46.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.532 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 5.8 ptp180 -139.45 -167.53 2.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.534 ' SD ' ' CG ' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -137.93 159.44 42.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -159.01 143.65 15.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.542 ' HG2' HD12 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -114.32 146.62 40.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.905 HG22 ' OG1' ' A' ' 104' ' ' THR . 59.3 t -136.3 130.51 47.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 16' ' ' GLU . 36.3 p-10 -135.23 -178.84 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.407 ' O ' HG13 ' A' ' 101' ' ' ILE . 0.6 OUTLIER -59.38 -14.59 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.238 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 15' ' ' PRO . 96.5 t -81.97 -82.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.497 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -151.66 -158.68 8.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.905 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -118.48 101.33 8.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 0.737 . . . . 0.0 110.399 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.8 163.69 0.14 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.82 13.84 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.03 28.48 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.784 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 t -94.74 169.98 9.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.13 134.3 68.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 153.04 41.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.44 1.758 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.4 p -79.78 158.06 26.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.5 ptt-85 -56.04 155.54 6.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.75 120.13 13.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.503 HD13 HG12 ' A' ' 29' ' ' ILE . 1.9 pp -112.98 173.45 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -127.47 108.38 10.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.432 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 60.8 p -65.37 163.47 15.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 36.1 mt -73.56 175.16 7.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -89.06 154.09 20.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.5 t -117.1 99.24 6.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -160.69 173.48 37.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 150.11 37.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.4 t 71.85 124.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.97 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.17 117.31 8.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.054 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.09 -64.98 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 1' ' ' GLY . 35.2 p -120.26 164.99 15.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.17 120.6 9.75 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -156.17 124.96 5.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.26 99.28 8.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.26 -174.15 16.11 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.7 t -151.95 147.36 26.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.369 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.6 mt -114.65 -65.21 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.0 p 61.52 107.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.8 t -48.11 140.97 6.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.005 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.74 111.27 2.97 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.57 125.74 30.25 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.489 0.758 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -75.0 148.26 35.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.536 1.809 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.4 Cg_endo -74.95 171.39 18.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.492 1.785 . . . . 0.0 111.031 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.733 ' O ' HG21 ' A' ' 102' ' ' VAL . 42.3 mt-10 -127.18 176.65 7.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.587 HD21 ' CA ' ' A' ' 103' ' ' GLY . 9.6 mt -76.55 153.07 83.59 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' CG ' ' HB2' ' A' ' 98' ' ' GLN . 18.3 Cg_endo -74.99 -171.91 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.495 1.787 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 42' ' ' TYR . . . -123.29 163.62 16.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 128.15 11.28 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.473 1.775 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 146.71 32.97 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.2 p -114.13 -175.61 2.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 m120 60.89 35.76 19.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.18 132.65 44.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -172.4 139.69 5.38 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.496 ' CD1' ' CB ' ' A' ' 111' ' ' SER . 4.9 mp -108.59 129.94 62.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.488 0.758 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.9 p -129.57 171.42 12.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.041 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 48.44 42.59 18.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.464 HG13 HG22 ' A' ' 26' ' ' ILE . 6.9 mt -56.38 112.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -89.13 -166.68 42.3 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -50.91 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -129.55 14.98 6.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.83 138.39 19.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.046 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.712 HG13 HD12 ' A' ' 86' ' ' LEU . 2.7 m -139.01 171.69 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.3 m -111.53 111.08 21.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.393 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 94' ' ' PHE . 3.1 tt -96.04 113.58 25.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -97.61 156.34 16.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.456 ' CG ' ' SD ' ' A' ' 96' ' ' MET . 5.4 p90 -173.41 -176.16 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.457 ' HG2' ' CD ' ' A' ' 79' ' ' ARG . 8.1 mtp180 -147.0 129.65 7.83 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 103.16 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.457 1.767 . . . . 0.0 110.967 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.54 -70.41 1.05 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' GLY . 28.3 t80 -134.09 112.39 11.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.93 -44.7 79.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 115.17 20.55 5.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt 66.86 26.26 9.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 109.275 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.651 ' O ' HG23 ' A' ' 46' ' ' THR . 0.6 OUTLIER -151.13 24.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.397 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.53 ' O ' HD13 ' A' ' 48' ' ' ILE . 0.8 OUTLIER 42.91 -166.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.987 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.57 HG13 ' CH2' ' A' ' 51' ' ' TRP . 14.9 mm -112.84 148.0 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.9 p -101.24 -23.31 14.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.969 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.422 ' NH1' ' HG3' ' A' ' 71' ' ' GLN . 4.3 ttm-85 -171.17 144.54 2.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CH2' HG13 ' A' ' 48' ' ' ILE . 24.1 m95 -106.83 119.49 39.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 107.972 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.956 ' HG ' HD13 ' A' ' 68' ' ' LEU . 5.2 tp -98.28 143.59 28.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.449 ' O ' HD12 ' A' ' 68' ' ' LEU . 20.4 t -133.69 109.75 13.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.22 166.19 10.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.567 ' HB3' HG21 ' A' ' 69' ' ' ILE . . . -159.92 163.62 34.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CD ' ' NE1' ' A' ' 66' ' ' TRP . 2.7 mt-30 -118.57 147.99 43.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.507 HG13 ' OH ' ' A' ' 92' ' ' TYR . 37.9 t -86.84 133.03 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.928 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 36.35 -98.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.459 1.099 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.415 HG11 ' OE2' ' A' ' 64' ' ' GLU . 8.7 p -44.55 118.85 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.431 0.724 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.928 HG23 ' O ' ' A' ' 58' ' ' GLY . 68.4 t -120.72 95.86 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -179.39 171.81 43.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.553 1.158 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -51.8 173.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 0.762 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.0 -46.25 3.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' OE2' HG11 ' A' ' 59' ' ' VAL . 1.8 mm-40 -81.39 156.3 25.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -91.21 162.64 14.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.481 ' CD2' ' NH2' ' A' ' 95' ' ' ARG . 7.5 m95 -117.58 115.23 24.7 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -104.08 156.01 18.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.956 HD13 ' HG ' ' A' ' 52' ' ' LEU . 3.0 tp -74.07 157.42 36.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.567 HG21 ' HB3' ' A' ' 55' ' ' ALA . 5.5 pt -137.54 -45.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.107 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.917 ' HB2' HG13 ' A' ' 83' ' ' VAL . 54.2 t60 -132.3 133.49 44.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.595 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.497 ' CD ' HD21 ' A' ' 68' ' ' LEU . 5.5 pt20 -136.22 126.49 26.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.428 HD11 ' OE2' ' A' ' 75' ' ' GLU . 22.5 tp -107.87 131.92 53.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.475 ' O ' ' C ' ' A' ' 74' ' ' ASN . 0.6 OUTLIER -55.56 -166.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.965 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.475 ' C ' ' O ' ' A' ' 73' ' ' SER . 1.2 m120 -35.14 -83.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.428 ' OE2' HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER 36.58 67.98 1.58 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.274 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 0.13 9.3 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.517 1.799 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -116.12 48.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.69 120.2 19.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.457 ' CD ' ' HG2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -97.88 -27.68 14.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -143.19 162.85 34.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.981 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.3 ptp -164.23 159.14 19.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.415 ' O ' ' NE2' ' A' ' 70' ' ' HIS . 13.4 tt0 -83.29 138.64 33.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.917 HG13 ' HB2' ' A' ' 70' ' ' HIS . 15.8 t -114.24 94.4 35.01 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -164.79 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.523 1.801 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 42.59 72.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.712 HD12 HG13 ' A' ' 34' ' ' VAL . 45.8 mt -126.36 152.82 45.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.45 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 9.9 m120 -88.35 113.4 55.12 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.501 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -75.0 147.93 34.6 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.461 1.769 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.0 t80 56.01 38.42 29.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.8 m -143.27 138.48 29.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.39 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.6 m -74.5 122.69 23.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 108.324 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.507 ' OH ' HG13 ' A' ' 57' ' ' VAL . 3.4 m-85 -143.65 159.95 41.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.555 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 0.5 OUTLIER -119.62 177.78 4.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 93' ' ' SER . 53.2 m-85 -157.28 138.73 13.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.481 ' NH2' ' CD2' ' A' ' 66' ' ' TRP . 4.9 ptp180 -127.73 -168.23 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.456 ' SD ' ' CG ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -135.4 163.48 29.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 -167.98 138.01 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.484 ' HB3' HD12 ' A' ' 48' ' ' ILE . 26.3 mt-30 -114.04 134.95 54.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 1.019 HG22 ' OG1' ' A' ' 104' ' ' THR . 33.3 t -120.6 128.96 76.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.531 1.145 . . . . 0.0 109.239 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.464 ' HB2' ' CG2' ' A' ' 46' ' ' THR . 32.9 p-10 -135.26 -179.7 5.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.224 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.424 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -57.79 -16.26 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.733 HG21 ' O ' ' A' ' 16' ' ' GLU . 40.6 t -81.85 -74.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.587 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -167.82 -148.67 5.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 1.019 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -126.05 123.32 38.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 110.407 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.94 170.36 2.66 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 173.49 14.4 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.491 1.785 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.37 22.99 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 109' ' ' GLN . 1.7 t -93.99 156.19 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.933 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 108' ' ' SER . 0.0 OUTLIER -38.6 132.81 1.04 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 156.61 43.36 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.496 ' CB ' ' CD1' ' A' ' 26' ' ' ILE . 42.5 p -75.44 166.09 24.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 114' ' ' ILE . 8.1 mtt180 -67.7 160.31 28.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.32 111.28 2.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.466 HG23 ' O ' ' A' ' 112' ' ' ARG . 1.8 pp -107.68 179.24 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -141.07 109.76 6.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 30.1 p -65.2 152.91 42.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 20.6 mt -72.52 177.27 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -85.67 155.93 20.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.3 t -102.46 -64.06 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.25 156.9 3.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 96.97 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.9 m -157.38 139.98 14.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.968 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 37.2 t -88.03 146.72 25.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.6 p -160.59 126.75 4.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.028 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.9 p -106.81 150.8 25.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.06 142.65 17.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.07 154.01 26.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 0.77 . . . . 0.0 109.96 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.21 92.37 3.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.44 154.76 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 p -83.01 121.1 26.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 110.412 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.2 pt -111.08 136.69 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.256 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -127.62 124.88 39.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.07 151.51 43.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.49 166.2 13.57 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.571 1.17 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.443 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 22.9 t -129.53 139.91 37.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.77 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.443 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.04 147.76 34.22 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.802 . . . . 0.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.504 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -74.97 165.01 32.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.791 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.904 ' O ' HG21 ' A' ' 102' ' ' VAL . 26.9 mt-10 -118.58 175.62 5.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.554 HD21 ' CA ' ' A' ' 103' ' ' GLY . 10.9 mt -76.71 153.56 83.32 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -171.53 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -123.89 163.08 17.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 111.065 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 119.95 5.86 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.545 1.813 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 146.97 33.26 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.523 1.801 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.5 p -117.35 -166.12 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 110.377 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 m120 62.95 30.68 16.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.49 HD11 ' HG3' ' A' ' 96' ' ' MET . 0.1 OUTLIER -73.92 136.71 43.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -160.36 142.31 8.08 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.543 HG22 HD11 ' A' ' 29' ' ' ILE . 10.2 mm -103.59 109.14 26.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.4 p -127.05 168.67 14.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 50.2 50.26 18.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.616 HD13 HD13 ' A' ' 114' ' ' ILE . 64.1 mt -73.4 110.06 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.04 -154.23 30.97 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -69.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -117.45 18.97 14.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.433 ' C ' ' CG1' ' A' ' 34' ' ' VAL . 1.4 m -148.26 146.41 28.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.755 HG13 HD12 ' A' ' 86' ' ' LEU . 1.5 m -151.16 156.76 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.1 m -97.15 127.79 43.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.578 HD11 ' HB3' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -108.12 121.07 44.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -105.41 144.59 31.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.595 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 4.2 p90 -165.53 -172.52 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -148.26 130.33 7.57 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 112.21 3.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.542 1.811 . . . . 0.0 111.046 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.67 -81.95 0.25 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -119.34 108.51 14.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.775 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -52.88 63.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.03 36.69 1.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt 56.28 32.39 20.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 46' ' ' THR . 15.2 t -173.18 113.35 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.429 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.7 p -41.17 158.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.545 HG13 ' CH2' ' A' ' 51' ' ' TRP . 10.4 mm -81.9 146.65 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.8 m -92.26 -33.31 14.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.963 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.562 ' NH1' HD13 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -170.45 138.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.545 ' CH2' HG13 ' A' ' 48' ' ' ILE . 12.8 m95 -93.04 136.92 32.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 107.979 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.832 ' HG ' HD13 ' A' ' 68' ' ' LEU . 2.7 tp -103.06 148.0 26.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.6 t -137.78 106.41 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -101.46 163.82 12.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.575 ' HB3' HG21 ' A' ' 69' ' ' ILE . . . -158.76 164.88 35.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.574 ' HG3' ' CD1' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -126.25 130.55 51.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 59' ' ' VAL . 48.6 t -67.95 132.79 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.741 ' O ' HG12 ' A' ' 60' ' ' VAL . . . 36.55 -96.9 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 59' ' ' VAL . 7.3 p -44.98 105.08 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.979 HG21 ' HB2' ' A' ' 93' ' ' SER . 2.8 p -141.56 99.86 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 139.58 67.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.108 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 175.32 -169.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.25 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.42 53.55 1.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -106.29 177.29 4.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -107.22 158.06 17.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.574 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 6.9 m95 -123.03 136.2 54.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 107.984 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 66' ' ' TRP . 17.3 mt -120.17 160.62 22.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.832 HD13 ' HG ' ' A' ' 52' ' ' LEU . 1.6 tp -75.22 151.35 38.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.63 HD11 HG11 ' A' ' 83' ' ' VAL . 5.4 pt -134.11 -44.32 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.53 ' HB2' HG13 ' A' ' 83' ' ' VAL . 16.7 t60 -139.25 148.35 42.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.578 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.78 ' NE2' HD21 ' A' ' 68' ' ' LEU . 5.2 pt20 -147.33 134.66 20.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.461 HD11 ' CD ' ' A' ' 75' ' ' GLU . 51.6 tp -105.01 105.2 15.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.0 m -95.1 152.32 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.025 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.3 t30 45.04 75.56 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.461 ' CD ' HD11 ' A' ' 72' ' ' LEU . 0.1 OUTLIER 177.0 64.96 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -10.5 21.22 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -102.34 39.84 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.435 ' CB ' HD21 ' A' ' 72' ' ' LEU . . . -117.75 115.12 24.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.505 ' O ' ' CE1' ' A' ' 38' ' ' PHE . 1.7 tpt180 -87.0 -31.05 20.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.4 p -143.07 161.97 36.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 5.4 ptp -159.95 159.7 32.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -89.67 141.99 28.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.36 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.63 HG11 HD11 ' A' ' 69' ' ' ILE . 11.3 t -115.54 93.8 37.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -162.85 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.0 t70 45.09 63.46 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.755 HD12 HG13 ' A' ' 34' ' ' VAL . 21.1 mt -119.18 146.07 45.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.424 ' HB2' ' CE1' ' A' ' 92' ' ' TYR . 3.5 m-80 -85.99 121.31 72.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.434 ' HA ' ' OG1' ' A' ' 116' ' ' THR . 18.2 Cg_endo -75.03 157.52 42.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.1 t80 47.75 41.61 14.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.2 m -147.58 134.74 20.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.406 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 55.9 m -74.38 119.83 19.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.424 ' CE1' ' HB2' ' A' ' 87' ' ' ASN . 2.5 m-85 -133.81 158.39 43.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.979 ' HB2' HG21 ' A' ' 60' ' ' VAL . 6.5 t -119.22 172.46 7.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.952 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.578 ' HB3' HD11 ' A' ' 36' ' ' LEU . 56.8 m-85 -157.02 139.99 15.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.37 -167.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.595 ' SD ' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -136.67 162.24 33.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 96' ' ' MET . 12.1 mtt180 -168.15 147.53 4.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.246 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.412 ' HG2' ' CZ3' ' A' ' 51' ' ' TRP . 72.7 mt-30 -113.85 142.86 45.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.953 HG22 ' OG1' ' A' ' 104' ' ' THR . 43.7 t -129.33 118.96 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.7 p30 -129.55 179.75 5.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.419 HG22 ' H ' ' A' ' 101' ' ' ILE . 0.4 OUTLIER -59.39 -14.98 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.904 HG21 ' O ' ' A' ' 16' ' ' GLU . 21.3 t -80.92 -66.14 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.554 ' CA ' HD21 ' A' ' 17' ' ' LEU . . . -177.82 -156.27 16.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.953 ' OG1' HG22 ' A' ' 99' ' ' VAL . 0.9 OUTLIER -120.72 112.9 19.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 0.779 . . . . 0.0 110.43 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.42 171.87 0.2 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.986 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.34 12.95 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.528 1.804 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.87 17.06 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.0 t -93.89 154.69 17.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.047 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.61 126.65 1.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.534 ' HB3' ' CH2' ' A' ' 66' ' ' TRP . 18.2 Cg_endo -75.03 155.68 42.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.9 p -75.11 143.78 43.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.9 mtt-85 -47.86 175.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -78.08 134.74 37.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.373 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.616 HD13 HD13 ' A' ' 29' ' ' ILE . 1.8 pp -131.49 179.69 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -131.55 123.91 28.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.434 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 41.4 p -83.73 149.94 26.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 48.6 mt -69.44 171.96 7.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.95 172.43 7.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.29 97.89 7.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 153.01 159.2 8.93 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.488 1.117 . . . . 0.0 111.046 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 144.51 30.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 t -148.22 104.68 3.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.2 t -75.06 144.09 43.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 41.96 87.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 110.012 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -168.69 141.97 2.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 109.979 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.14 103.09 2.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.441 1.088 . . . . 0.0 111.038 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.4 t -157.42 84.08 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.55 147.5 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.44 144.05 3.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.3 p -117.77 -51.7 2.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 0.78 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 58.9 mt -118.53 92.39 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.3 t -75.63 128.36 35.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.012 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.57 78.84 9.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.007 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 112.1 -157.54 14.88 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.23 128.62 21.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.545 0.791 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 18.1 Cg_endo -75.0 147.88 34.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.538 1.81 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.489 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 18.2 Cg_endo -75.03 164.72 32.73 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.477 1.777 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.916 ' O ' HG21 ' A' ' 102' ' ' VAL . 84.8 mt-10 -116.3 175.0 5.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.539 HD21 ' HA3' ' A' ' 103' ' ' GLY . 11.5 mt -76.94 153.63 82.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 42' ' ' TYR . 18.2 Cg_endo -75.03 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.14 167.72 24.83 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 119.54 5.68 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.27 26.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.0 p -117.42 -167.57 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.379 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.0 m120 59.91 26.07 15.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.816 HD11 ' HB2' ' A' ' 96' ' ' MET . 0.1 OUTLIER -65.89 144.19 56.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -176.89 133.7 2.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.496 ' CD1' ' CB ' ' A' ' 111' ' ' SER . 4.9 mp -103.2 132.15 50.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.7 m -125.61 170.3 11.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 42.56 54.26 4.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.728 HD13 HD13 ' A' ' 114' ' ' ILE . 44.3 mt -64.42 108.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 33' ' ' SER . . . -83.0 -172.54 48.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -52.16 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -120.36 10.32 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.18 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.46 ' O ' ' CA ' ' A' ' 30' ' ' GLY . 4.8 m -150.91 151.3 31.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.712 HG13 HD12 ' A' ' 86' ' ' LEU . 2.9 m -148.5 164.27 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.6 m -103.69 107.19 17.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.4 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' HG ' ' CG1' ' A' ' 26' ' ' ILE . 0.6 OUTLIER -91.3 120.91 32.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -106.57 149.71 26.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.661 ' CD2' ' HE2' ' A' ' 96' ' ' MET . 8.4 p90 -163.1 -173.51 3.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -152.83 133.99 8.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 103.69 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.481 1.78 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.83 -61.09 5.19 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.509 1.13 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 18' ' ' PRO . 1.6 t80 -140.45 92.23 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.552 ' HA ' HD11 ' A' ' 48' ' ' ILE . 7.2 m-20 -51.63 -64.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.92 42.6 0.18 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt 47.22 27.16 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 0.728 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 47' ' ' SER . 6.8 t -155.19 23.43 0.42 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.409 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.463 ' O ' HD13 ' A' ' 48' ' ' ILE . 7.4 t 43.59 -166.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.552 HD11 ' HA ' ' A' ' 43' ' ' ASP . 29.0 mm -114.54 147.31 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.84 -38.82 8.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.973 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.467 ' HD3' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -152.32 143.89 23.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.476 ' CH2' HG13 ' A' ' 48' ' ' ILE . 21.4 m95 -103.32 140.41 37.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 107.989 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.982 ' HG ' HD13 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -110.49 133.89 52.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 39.7 t -128.54 104.67 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.461 ' HB2' ' CG ' ' A' ' 95' ' ' ARG . 5.2 mt-10 -98.58 166.07 11.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.622 ' HB3' HG21 ' A' ' 69' ' ' ILE . . . -156.9 154.29 29.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.412 ' OE1' ' O ' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -118.19 143.8 46.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.832 HG13 ' OH ' ' A' ' 92' ' ' TYR . 28.9 t -86.72 130.96 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.536 ' O ' HG12 ' A' ' 60' ' ' VAL . . . 35.19 -98.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.412 ' O ' ' OE1' ' A' ' 56' ' ' GLN . 3.6 p -45.34 96.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.784 HG21 ' HB2' ' A' ' 93' ' ' SER . 5.5 p -128.52 107.88 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -162.03 -133.33 1.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -117.86 104.29 10.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 149.97 -19.97 1.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -99.86 163.95 12.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 110.276 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.626 ' HG3' HD23 ' A' ' 67' ' ' LEU . 9.5 pt-20 -86.08 166.67 15.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.611 ' CG ' ' CZ ' ' A' ' 95' ' ' ARG . 6.6 m95 -127.48 99.69 5.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 108.062 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.626 HD23 ' HG3' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -87.17 154.72 20.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.982 HD13 ' HG ' ' A' ' 52' ' ' LEU . 9.7 tp -76.54 154.5 34.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.622 HG21 ' HB3' ' A' ' 55' ' ' ALA . 0.9 OUTLIER -135.44 -48.69 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.619 ' CB ' HG13 ' A' ' 83' ' ' VAL . 67.7 t60 -126.47 138.29 53.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.553 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.595 ' OE1' HD21 ' A' ' 68' ' ' LEU . 18.3 pt20 -145.61 123.41 11.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 48.4 tp -104.29 117.74 34.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -99.81 156.63 17.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 75' ' ' GLU . 49.4 t-20 43.55 91.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.436 ' CB ' ' O ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER 165.19 69.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -25.02 12.17 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.434 1.755 . . . . 0.0 110.983 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.92 -33.9 59.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.405 ' HB2' ' CD ' ' A' ' 75' ' ' GLU . . . -44.91 125.43 5.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 -106.8 -24.87 11.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.4 p -143.33 159.85 41.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -160.96 160.02 30.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -90.87 144.86 25.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.619 HG13 ' CB ' ' A' ' 70' ' ' HIS . 4.3 t -118.86 94.03 47.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -167.52 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.789 . . . . 0.0 111.03 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 47.78 69.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.712 HD12 HG13 ' A' ' 34' ' ' VAL . 38.3 mt -127.17 145.44 50.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -86.98 113.64 54.48 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.455 ' CB ' ' O ' ' A' ' 117' ' ' LEU . 18.3 Cg_endo -74.98 147.35 33.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.9 t80 62.47 39.54 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 52.5 m -147.78 139.37 23.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 60.6 m -75.14 116.91 16.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 108.297 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.832 ' OH ' HG13 ' A' ' 57' ' ' VAL . 3.0 m-85 -136.23 153.99 51.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.784 ' HB2' HG21 ' A' ' 60' ' ' VAL . 1.3 t -119.55 165.19 14.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.412 ' HA ' ' O ' ' A' ' 54' ' ' GLU . 63.5 m-85 -142.72 152.02 41.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.611 ' CZ ' ' CG ' ' A' ' 66' ' ' TRP . 7.9 ptp180 -144.63 143.26 30.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.816 ' HB2' HD11 ' A' ' 24' ' ' LEU . 18.9 mmm -99.05 159.23 15.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.5 mtt180 -151.35 172.25 16.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.451 ' HB3' HD12 ' A' ' 48' ' ' ILE . 30.0 mt-30 -137.68 133.74 34.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.862 HG22 ' OG1' ' A' ' 104' ' ' THR . 93.0 t -125.85 130.23 72.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.0 p30 -135.54 -179.16 5.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -13.23 9.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.916 HG21 ' O ' ' A' ' 16' ' ' GLU . 15.5 t -80.82 -72.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.539 ' HA3' HD21 ' A' ' 17' ' ' LEU . . . -161.91 -151.13 6.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.862 ' OG1' HG22 ' A' ' 99' ' ' VAL . 1.1 m -128.76 100.98 5.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 0.738 . . . . 0.0 110.413 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.403 ' OG ' ' HG2' ' A' ' 18' ' ' PRO . 1.4 p -42.44 163.4 0.14 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.985 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.16 13.26 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.555 1.818 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.83 27.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.8 p -94.4 172.59 8.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.64 141.18 84.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 153.17 41.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.496 ' CB ' ' CD1' ' A' ' 26' ' ' ILE . 97.0 p -75.38 165.71 24.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.033 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -59.3 149.73 28.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.93 114.46 4.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.358 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.728 HD13 HD13 ' A' ' 29' ' ' ILE . 2.0 pp -117.22 163.65 14.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -119.83 108.7 14.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' A' ' 88' ' ' PRO . 9.1 p -57.46 145.7 32.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.381 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' A' ' 88' ' ' PRO . 53.8 mt -57.99 173.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -88.63 142.62 27.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.7 t -116.18 108.29 15.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -142.2 157.68 26.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -46.04 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.2 m 64.29 89.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.025 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.0 t -66.32 158.14 29.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.975 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 111.045 -179.98 . . . . . . . . 0 0 . 1 stop_ save_