data_1wz6_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 1wz6 _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 ' 12' ' ' MET . . . . . 0.591 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 2.4 ptp . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.527 0.203 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -152.58 165.29 35.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.356 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.526 ' O ' ' CZ3' ' A' ' 46' ' ' TRP . . . -47.47 -35.81 9.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.457 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 11.4 t80 -81.84 -47.3 12.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mt -59.86 -17.92 40.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.438 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 20.7 mt -79.3 -48.16 14.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.728 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 10.6 t80 -63.76 -25.12 68.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 10.2 t -78.18 -37.44 45.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 108.292 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.78 -12.14 60.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -100.51 -43.69 6.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.728 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 47.1 m80 -89.13 -11.2 44.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.09 -63.17 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.462 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -54.93 -48.92 72.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.964 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.74 -62.48 1.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' HIS . 4.4 t -56.98 -64.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.414 ' O ' ' CA ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -38.45 -38.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 24' ' ' SER . 8.7 mm-40 -70.15 -58.8 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.526 ' C ' ' CG ' ' A' ' 30' ' ' HIS . 17.2 mm-40 -62.44 -12.97 24.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.526 ' CG ' ' C ' ' A' ' 29' ' ' GLU . 1.8 m-70 -159.07 80.09 2.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.594 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.414 ' CA ' ' O ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -75.03 -44.6 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -36.16 60.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -43.69 165.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -112.25 166.04 11.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -46.75 -25.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' ' 34' ' ' ASP . 10.3 mmt85 -87.54 -39.23 15.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.65 -54.23 13.3 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.21 -30.34 68.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.3 m -77.9 -19.68 54.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.44 -24.94 36.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.416 HD13 ' CD2' ' A' ' 30' ' ' HIS . 21.6 mt -82.35 -41.16 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 3.8 mt -60.38 -43.3 96.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.99 -65.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -48.98 -54.64 14.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 12.9 m0 -43.51 -40.84 4.11 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.562 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 34.9 t-105 -75.97 -52.41 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.8 -27.78 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.1 m -109.77 51.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.251 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.6 tp -119.97 143.79 47.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.469 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -76.32 176.35 3.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.02 -53.1 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.502 1.791 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -39.35 -48.48 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -65.17 -50.1 67.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.562 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 11.9 mttm -56.32 -40.51 74.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -53.08 -67.47 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -46.3 -45.67 17.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.438 ' O ' ' CD1' ' A' ' 17' ' ' LEU . 7.1 m-85 -60.98 -49.98 75.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.3 -41.39 68.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.37 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.14 -46.98 88.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.4 mtp -56.19 -42.26 76.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.27 -48.2 44.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -19.1 61.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.52 -40.54 9.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.591 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 2.5 m-85 -70.27 -36.73 74.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.445 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.477 0.179 . . . . 0.0 111.04 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -82.94 -174.53 5.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.78 -46.95 67.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.405 ' HD2' ' CD1' ' A' ' 46' ' ' TRP . 11.2 t80 -63.95 -34.31 77.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.0 mt -67.06 -33.55 75.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.88 -59.62 3.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.781 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 5.7 t80 -53.46 -29.93 38.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 9.4 t -73.81 -44.16 56.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.292 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.8 -9.97 59.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -96.21 -54.05 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.781 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 53.8 m80 -81.98 -11.85 58.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.57 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.65 -67.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.412 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -51.21 -46.49 62.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.72 -68.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.445 HG23 ' CZ2' ' A' ' 45' ' ' TRP . 3.1 t -52.89 -62.1 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -38.67 -38.47 0.41 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.412 ' CG ' ' O ' ' A' ' 24' ' ' SER . 2.8 mm100 -72.47 -62.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -55.33 -19.05 7.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' VAL . 3.6 m-70 -141.31 80.9 16.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.611 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.94 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.511 1.795 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -39.92 95.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' CD2' ' HB3' ' A' ' 30' ' ' HIS . 1.7 mm? -40.54 157.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 37' ' ' GLY . 21.3 t70 -105.31 162.35 13.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -41.56 -33.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -79.77 -44.21 21.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -62.26 -56.49 21.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.429 1.08 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.34 -51.33 55.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.2 m -58.31 -34.72 70.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -40.6 97.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.422 HD12 ' CD2' ' A' ' 30' ' ' HIS . 4.6 mt -68.51 -42.3 83.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 1.2 mt -60.84 -37.05 80.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.75 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -47.04 -51.32 17.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.445 ' CZ2' HG23 ' A' ' 26' ' ' VAL . 23.5 m0 -43.1 -47.48 6.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 107.992 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 36.3 t-105 -71.67 -47.13 56.28 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.2 -26.14 2.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.1 m -113.25 53.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.2 tp -123.4 145.6 48.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.426 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -79.56 174.01 6.8 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.2 Cg_endo -74.96 -44.41 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.511 1.795 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mttp -46.82 -48.31 20.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -64.68 -44.75 89.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.576 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 4.8 mttm -57.53 -32.45 67.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' THR . 5.3 tp60 -57.69 -70.91 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -39.81 -44.73 1.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -67.96 -43.4 79.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.044 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' GLN . 12.3 m -60.57 -24.82 65.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.69 -47.33 12.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.438 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 7.3 mtm -54.09 -41.92 68.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 12' ' ' MET . . . -68.94 -43.81 74.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.03 -48.51 79.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.23 -38.5 88.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.438 ' CD2' ' O ' ' A' ' 60' ' ' MET . 1.2 m-85 -65.92 -36.56 83.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.591 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 5.0 ptp . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.514 0.197 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -77.04 -174.01 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.486 ' HB2' ' CH2' ' A' ' 46' ' ' TRP . . . -67.79 -42.9 80.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.47 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 3.2 t80 -67.86 -37.67 82.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.55 -28.74 69.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.4 mt -70.36 -57.95 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.745 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 10.5 t80 -51.74 -43.43 62.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 64.4 m -62.78 -38.97 92.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -71.83 -19.91 61.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -90.04 -59.51 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.745 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 39.2 m80 -72.8 -11.09 60.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.582 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -35.91 -66.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 3.9 m -54.6 -46.06 73.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.62 -70.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.467 HG12 ' CB ' ' A' ' 38' ' ' ALA . 2.6 t -49.21 -61.85 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.7 -46.09 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 24' ' ' SER . 5.0 mm100 -66.87 -66.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -48.85 -24.09 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.559 ' CE1' HD11 ' A' ' 41' ' ' ILE . 8.7 m-70 -134.39 82.42 46.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.616 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.779 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.88 -34.38 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -58.05 149.14 24.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.06 -81.79 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -145.96 -57.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -37.72 67.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.442 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -63.3 -57.5 14.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.467 ' CB ' HG12 ' A' ' 26' ' ' VAL . . . -55.84 -41.05 73.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.6 m -56.49 -39.46 73.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -38.67 91.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.559 HD11 ' CE1' ' A' ' 30' ' ' HIS . 4.7 mt -67.43 -46.99 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 1.6 mt -57.9 -32.55 67.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -58.09 -68.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 48' ' ' VAL . 14.5 t70 -44.08 -46.75 8.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.502 ' CZ3' ' HB3' ' A' ' 22' ' ' HIS . 18.8 m0 -47.5 -44.17 25.29 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.558 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 44.9 t-105 -78.03 -46.73 20.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.033 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.76 -22.01 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.456 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 5.3 m -120.63 57.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 tp -127.74 138.76 52.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -68.95 174.11 3.04 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.428 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.1 Cg_endo -75.06 -43.47 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.436 1.756 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -45.15 -54.82 6.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -57.98 -48.72 79.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.558 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 9.4 mttm -53.68 -38.32 64.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -52.57 -72.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -41.74 -43.99 3.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.403 ' CE2' ' HD2' ' A' ' 18' ' ' PHE . 6.6 m-85 -62.51 -53.59 52.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -50.66 -39.78 51.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.421 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -62.44 -47.74 82.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.43 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 7.4 mtm -54.19 -42.24 69.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.11 -51.59 17.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -30.28 47.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.82 -47.42 11.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.591 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 2.5 m-85 -61.29 -45.92 92.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.595 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 12.4 ptp . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.451 0.167 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -77.6 179.38 6.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.414 ' HB2' ' CH2' ' A' ' 46' ' ' TRP . . . -57.23 -41.43 79.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.404 ' HD2' ' CD1' ' A' ' 46' ' ' TRP . 9.8 t80 -67.06 -46.65 73.69 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -55.22 -29.56 58.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.426 HD13 ' N ' ' A' ' 61' ' ' ALA . 17.5 mt -70.2 -54.17 13.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.564 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 9.5 t80 -54.25 -44.05 71.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.952 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 43.7 t -63.95 -36.01 82.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 108.232 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -30.9 67.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -82.22 -59.18 2.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.564 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 44.6 m80 -70.77 -11.09 60.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.579 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.11 -68.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.432 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -54.54 -48.4 72.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.407 ' HB3' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -42.04 -70.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.47 HG13 ' CB ' ' A' ' 38' ' ' ALA . 2.2 t -50.52 -63.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -38.23 -40.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 24' ' ' SER . 3.1 mm100 -71.65 -65.22 0.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -51.68 -23.16 4.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.549 ' CE1' HD13 ' A' ' 41' ' ' ILE . 6.0 m-70 -135.89 81.62 39.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.616 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -53.53 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.36 -31.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.463 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -59.62 148.66 32.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' ARG . 49.9 m-20 -110.16 51.52 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 69.0 -65.94 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' ASP . 3.5 tpt180 -40.19 -44.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.454 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -76.53 -43.43 19.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.47 ' CB ' HG13 ' A' ' 26' ' ' VAL . . . -58.27 -44.92 88.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 0.802 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m -49.79 -45.36 49.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -37.22 72.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.549 HD13 ' CE1' ' A' ' 30' ' ' HIS . 5.9 mt -66.89 -49.49 73.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 2.1 mt -53.9 -33.26 56.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -59.32 -69.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -45.42 -38.96 6.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.44 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 11.8 m0 -56.27 -45.44 80.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 107.983 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.572 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 47.6 t-105 -75.26 -47.1 29.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.95 -24.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.487 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 4.5 m -119.85 60.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.493 HD21 ' CE3' ' A' ' 46' ' ' TRP . 27.5 tp -127.46 151.17 49.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.78 172.59 9.13 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.93 1.8 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -49.26 -48.09 46.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -43.92 87.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.247 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.572 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 3.1 mttm -59.1 -22.77 61.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.342 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -61.46 -73.78 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.2 -35.62 12.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.4 ' CZ ' ' HA ' ' A' ' 18' ' ' PHE . 4.3 m-85 -68.33 -50.06 56.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.6 -39.38 76.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.46 -53.36 29.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.0 mtm -46.54 -46.15 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.426 ' N ' HD13 ' A' ' 17' ' ' LEU . . . -66.24 -53.21 39.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 109.245 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -39.7 -47.13 1.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.07 -54.14 20.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.595 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 7.9 m-85 -52.68 -45.13 66.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 tttt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.414 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 11.8 ptp . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.54 0.21 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 6.0 p30 -98.02 179.66 4.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -61.01 -60.92 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -47.98 -25.6 1.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.429 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 6.4 mt -76.64 -36.65 57.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' ALA . 11.3 mt -64.65 -57.33 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.794 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 6.3 t80 -51.84 -35.91 46.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 80.4 m -69.82 -36.53 75.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 108.285 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -75.23 -10.32 59.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.253 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -99.26 -45.04 6.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.794 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 43.9 m80 -89.68 -11.33 42.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.61 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.47 -65.63 0.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 8.2 t -52.03 -48.73 64.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.75 -63.84 0.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.416 ' C ' ' N ' ' A' ' 28' ' ' GLN . 3.5 t -55.69 -61.61 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.31 -29.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 24' ' ' SER . 2.3 mm100 -83.82 -61.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -57.58 -16.63 10.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.569 ' CD2' HG23 ' A' ' 41' ' ' ILE . 21.5 m-70 -141.2 79.16 18.1 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 0.0 109.573 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -41.29 0.67 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.496 1.787 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -20.56 3.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -69.8 153.2 43.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 36' ' ' ARG . 7.3 m-20 -120.35 53.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.435 ' OD1' ' NH2' ' A' ' 23' ' ' ARG . 43.7 t30 69.03 -66.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' ASP . 2.3 mtt180 -39.26 -40.76 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.455 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -80.95 -47.59 6.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.87 -43.77 13.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.9 m -57.54 -42.13 82.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.445 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -20.94 65.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.569 HG23 ' CD2' ' A' ' 30' ' ' HIS . 1.6 mm -83.84 -36.44 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 3.3 mt -69.69 -41.42 75.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.11 -47.6 23.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -60.21 -61.43 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.402 ' C ' ' O ' ' A' ' 44' ' ' ASP . 29.0 m0 -42.3 -50.51 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 107.957 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.571 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 29.3 t-105 -62.14 -51.96 65.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.014 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.08 -33.02 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.4 m -104.36 51.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.474 HD22 ' CE3' ' A' ' 46' ' ' TRP . 20.6 tp -118.22 139.71 50.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.467 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -71.01 176.42 2.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.0 -54.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' PRO . 8.3 mttm -39.77 -52.21 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -49.17 78.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 16.9 mttt -56.62 -46.25 81.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.82 -37.57 88.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -59.44 -56.62 19.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -55.09 -42.34 72.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -52.72 -29.18 25.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.431 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -78.31 -32.07 49.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.574 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.1 mtm -75.36 -26.48 58.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.45 -58.3 2.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.21 -28.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -81.04 -43.22 19.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 60' ' ' MET . 2.6 m-85 -70.07 -38.97 75.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 tttm . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.948 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.562 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 4.4 ptp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.438 0.161 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -75.67 -178.26 4.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.468 ' CA ' ' HB3' ' A' ' 57' ' ' TYR . . . -63.4 -28.6 70.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -78.57 -43.92 25.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt -61.31 -15.41 35.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.51 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 38.5 mt -81.14 -52.74 7.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 57' ' ' TYR . 6.5 t80 -59.6 -29.44 67.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 15.4 m -71.93 -44.57 63.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 108.304 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -9.72 58.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.79 -49.93 6.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.467 ' O ' ' C ' ' A' ' 23' ' ' ARG . 16.8 m80 -93.57 -10.05 36.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -33.64 -64.78 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.476 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -53.33 -45.28 69.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -47.78 -62.45 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 30' ' ' HIS . 3.3 t -58.48 -60.88 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -38.6 -33.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.252 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 24' ' ' SER . 0.9 OUTLIER -75.76 -58.27 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -63.67 -12.25 32.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 26' ' ' VAL . 13.8 m-70 -143.19 74.99 17.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -34.24 3.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -30.89 65.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -62.12 152.42 32.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.23 -80.91 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 36' ' ' ARG . 3.9 p30 -151.55 -51.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.422 ' N ' ' OD1' ' A' ' 35' ' ' ASN . 3.5 ttp85 -64.15 -29.92 71.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.12 -50.05 30.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.27 -19.19 7.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 0.787 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.9 m -84.73 -13.09 52.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.17 -33.46 38.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.25 -43.0 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 19' ' ' CYS . 3.5 mt -58.41 -47.07 85.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.74 -58.14 3.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -58.25 -49.11 78.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -49.91 -33.61 17.88 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 46.2 t-105 -82.26 -50.14 9.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 108.033 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.2 -26.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' A' ' 46' ' ' TRP . 11.3 m -114.14 55.82 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.554 HD21 ' CE3' ' A' ' 46' ' ' TRP . 25.7 tp -118.96 154.24 33.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.475 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -88.83 176.74 2.99 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -74.95 -50.47 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -40.77 -47.75 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.476 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -65.85 -49.86 66.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 14.5 mttt -56.54 -35.87 68.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -59.61 -64.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -47.62 -45.11 27.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 18' ' ' PHE . 14.0 m-85 -59.84 -45.63 91.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.1 m -58.22 -39.54 79.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -65.75 -46.98 76.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.1 mtp -61.13 -40.87 95.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.417 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -67.34 -52.71 36.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -27.96 51.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -81.91 -46.76 13.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.241 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.562 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 2.2 m-85 -64.74 -41.09 96.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.497 0.189 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -91.75 -173.84 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . . . -64.33 -41.4 96.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -63.22 -51.13 67.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mt -50.31 -35.68 28.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.422 HD11 ' N ' ' A' ' 61' ' ' ALA . 11.6 mt -64.73 -56.73 11.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.788 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 4.6 t80 -54.08 -36.7 63.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 48.6 t -68.58 -34.69 76.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 108.322 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -76.31 -9.8 58.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -95.57 -50.17 5.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.788 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 38.9 m80 -86.12 -11.33 52.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 0.0 109.566 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.83 -67.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 19.9 p -52.15 -41.95 62.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.987 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.34 -68.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 30' ' ' HIS . 3.2 t -54.14 -60.11 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.0 -45.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 24' ' ' SER . 5.8 mm100 -65.19 -66.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -50.67 -25.41 4.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.631 ' CE1' ' CD1' ' A' ' 41' ' ' ILE . 3.6 m-70 -134.92 82.43 43.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.573 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -38.95 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -40.52 87.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -40.62 156.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -106.22 161.12 14.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -41.43 -33.16 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.35 -44.58 21.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.238 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -62.45 -56.74 19.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.35 -48.43 55.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.2 m -53.3 -42.46 66.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -49.81 67.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.631 ' CD1' ' CE1' ' A' ' 30' ' ' HIS . 4.9 mt -59.9 -48.1 89.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 2.1 mt -55.56 -45.0 77.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.86 -60.77 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -50.37 -56.99 9.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.429 ' CZ3' ' HB3' ' A' ' 22' ' ' HIS . 26.0 m0 -41.92 -40.67 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.687 ' CZ3' ' CD2' ' A' ' 49' ' ' LEU . 51.8 t-105 -75.61 -50.88 14.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 108.033 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.43 -27.18 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' A' ' 46' ' ' TRP . 11.4 m -113.47 54.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.687 ' CD2' ' CZ3' ' A' ' 46' ' ' TRP . 19.8 tp -117.99 145.24 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.487 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -79.57 177.51 2.87 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.4 Cg_endo -74.94 -51.72 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.811 . . . . 0.0 111.047 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.39 -48.9 2.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.442 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -64.23 -51.53 63.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.582 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 10.4 mttm -54.09 -36.15 62.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -60.41 -69.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -41.44 -45.86 3.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.461 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 16.8 m-85 -65.06 -42.77 93.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -57.67 -28.47 63.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -79.27 -54.41 5.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.9 mtm -47.18 -47.72 23.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.422 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -67.73 -46.77 71.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -49.42 -45.49 46.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -68.82 -46.74 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -57.39 -47.38 81.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.503 0.192 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -93.0 -172.0 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . . . -69.83 -50.39 43.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CE1' ' SG ' ' A' ' 19' ' ' CYS . 7.7 t80 -57.63 -41.55 81.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 mt -59.53 -36.12 75.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.4 -52.28 59.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.809 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 4.8 t80 -54.95 -38.46 67.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.563 ' SG ' ' CE1' ' A' ' 15' ' ' PHE . 60.4 m -68.2 -38.96 82.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.276 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -19.26 63.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.56 -56.5 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.809 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 38.2 m80 -76.02 -10.99 59.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.593 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.545 ' CZ ' ' NH1' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -36.33 -69.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.76 -46.2 40.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.0 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.454 ' CG2' ' HG ' ' A' ' 42' ' ' LEU . 2.7 t -50.82 -59.18 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.545 ' NH1' ' CZ ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -41.17 -42.43 2.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 110.338 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -67.77 -63.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -54.98 -19.69 7.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.539 ' CE1' HD12 ' A' ' 41' ' ' ILE . 10.0 m-70 -141.42 81.41 15.41 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.587 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -49.75 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -45.7 -26.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.45 ' CD1' ' HA3' ' A' ' 37' ' ' GLY . 1.0 OUTLIER -64.52 146.15 55.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.14 -87.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -135.96 -64.24 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -52.86 -40.23 63.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.45 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -59.66 -56.11 26.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.46 -47.52 72.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 0.787 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.1 m -61.77 -18.76 61.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.52 -34.96 53.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.539 HD12 ' CE1' ' A' ' 30' ' ' HIS . 7.8 mt -77.7 -49.01 22.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.454 ' HG ' ' CG2' ' A' ' 26' ' ' VAL . 3.1 mt -46.5 -54.06 10.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' ASP . . . -40.44 -68.52 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 43' ' ' ALA . 28.5 t0 -39.84 -60.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.419 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 24.5 m0 -42.28 -56.56 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.572 ' CE3' HD21 ' A' ' 49' ' ' LEU . 21.0 t-105 -55.71 -51.74 66.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 108.04 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.21 -29.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' A' ' 45' ' ' TRP . 27.2 m -111.4 55.82 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.237 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.572 HD21 ' CE3' ' A' ' 46' ' ' TRP . 22.6 tp -120.6 154.49 35.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.439 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -82.3 174.75 5.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.4 Cg_endo -74.94 -51.23 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.444 1.76 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -39.66 -48.9 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.421 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -64.06 -48.58 75.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.572 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 8.0 mttt -56.75 -29.45 62.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.75 -62.46 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -46.51 -31.19 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.443 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 11.8 m-85 -80.81 -43.71 19.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 m -58.13 -28.36 64.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.381 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -76.31 -49.0 18.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.437 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 21.8 mtm -55.37 -45.97 76.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.22 80.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -51.08 65.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.54 -40.37 95.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.437 ' CD2' ' O ' ' A' ' 60' ' ' MET . 1.9 m-85 -62.9 -41.41 99.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.4 tttt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.571 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 6.4 ptp . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.469 0.176 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -123.17 -170.05 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.504 ' HB1' ' CZ2' ' A' ' 46' ' ' TRP . . . -74.92 -40.32 60.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -62.62 -51.22 68.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.415 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 16.1 mt -50.81 -34.15 26.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.7 mt -67.79 -39.72 84.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.595 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 19.2 t80 -73.03 -30.33 63.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 1.8 p -76.56 -29.07 56.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 108.326 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.05 -24.0 43.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.01 -57.85 2.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.595 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 29.7 m80 -72.61 -10.91 60.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.579 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -35.81 -71.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.477 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -52.22 -46.1 65.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.7 -62.68 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.442 ' C ' ' N ' ' A' ' 28' ' ' GLN . 2.9 t -57.16 -63.17 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.09 -29.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 24' ' ' SER . 3.3 mm100 -82.5 -58.72 2.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.243 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -61.42 -13.57 21.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.507 ' CD2' HG21 ' A' ' 41' ' ' ILE . 17.5 m-70 -141.86 76.26 20.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.588 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -40.25 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -25.24 7.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -67.91 151.55 46.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -93.1 -66.51 0.92 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -162.78 -58.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -54.86 -31.6 59.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.291 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -74.55 -51.98 7.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.34 -40.46 59.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.2 m -64.45 -38.73 92.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -24.1 66.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.507 HG21 ' CD2' ' A' ' 30' ' ' HIS . 1.3 mm -80.89 -47.23 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.432 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 2.6 mt -57.22 -32.99 67.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -56.88 -68.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.86 -54.3 5.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -44.83 -41.55 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CH2' ' HG2' ' A' ' 54' ' ' LYS . 51.7 t-105 -75.38 -50.76 14.89 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.01 -24.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.478 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 5.3 m -119.99 60.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.464 HD21 ' CE3' ' A' ' 46' ' ' TRP . 46.1 tp -126.85 139.96 52.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.4 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.7 OUTLIER -63.99 173.01 1.54 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -74.95 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.799 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -38.85 -52.64 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -61.39 -52.3 65.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.352 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.573 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 12.0 mttm -53.56 -42.73 67.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -51.67 -68.72 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -46.25 -45.4 17.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.402 ' CE2' ' HD2' ' A' ' 18' ' ' PHE . 4.3 m-85 -58.81 -52.84 64.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.98 -32.77 61.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.371 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -69.23 -38.09 78.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.585 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 11.4 mtm -64.73 -37.0 86.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.58 -46.01 34.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -46.55 66.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -67.77 -43.85 78.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CD2' ' O ' ' A' ' 60' ' ' MET . 2.0 m-85 -62.45 -51.1 68.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.462 ' SD ' ' CG ' ' A' ' 64' ' ' TYR . 7.4 ptp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.49 0.186 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -148.74 -173.8 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.36 -64.2 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -46.3 -40.4 11.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 mt -61.52 -38.64 88.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.426 HD11 ' N ' ' A' ' 61' ' ' ALA . 14.3 mt -63.42 -42.06 98.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.652 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 32.8 t80 -66.45 -34.43 77.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 23' ' ' ARG . 97.9 m -77.08 -29.05 54.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -22.74 54.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.36 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -94.06 -56.72 2.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.652 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 54.4 m80 -70.48 -11.58 61.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.641 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -39.31 -71.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.244 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -47.66 -48.42 28.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.954 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.433 ' HB3' ' CZ3' ' A' ' 45' ' ' TRP . 0.8 OUTLIER -42.94 -66.69 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.461 HG12 ' CB ' ' A' ' 38' ' ' ALA . 2.7 t -52.89 -61.43 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.78 -44.38 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.102 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -66.8 -62.65 1.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -54.53 -19.0 5.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.566 ' CD2' HD11 ' A' ' 41' ' ' ILE . 7.7 m-70 -141.6 81.53 15.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.64 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -36.24 2.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -21.76 61.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.263 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -73.51 153.63 40.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.2 -75.73 0.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -146.44 -68.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.7 mmm-85 -46.67 -42.63 16.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.418 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -60.47 -54.41 37.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.461 ' CB ' HG12 ' A' ' 26' ' ' VAL . . . -60.27 -37.99 82.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 0.806 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.8 m -57.22 -41.48 79.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.398 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -34.73 78.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.566 HD11 ' CD2' ' A' ' 30' ' ' HIS . 5.7 mt -69.67 -43.95 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 3.1 mt -59.81 -40.96 90.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -46.89 -70.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' VAL . 21.3 t70 -42.81 -55.67 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.433 ' CZ3' ' HB3' ' A' ' 25' ' ' LEU . 17.7 m0 -42.63 -44.5 4.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 108.037 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.571 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 56.7 t-105 -73.72 -48.18 33.89 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.35 -24.89 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' ASP . 28.4 m -115.09 55.91 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.508 HD22 ' CD2' ' A' ' 18' ' ' PHE . 22.1 tp -126.52 149.94 49.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.472 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -82.77 176.52 3.74 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.02 -53.49 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 51' ' ' PRO . 5.1 mtmt -39.84 -46.58 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -50.93 54.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 9.4 mttm -55.19 -36.43 65.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 57' ' ' TYR . 2.8 tp60 -63.0 -65.83 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 57' ' ' TYR . 7.1 pttt -42.18 -29.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.411 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 7.5 m-85 -82.55 -51.38 7.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.7 m -52.11 -26.22 10.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -77.21 -48.98 16.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.551 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 14.6 mtm -52.92 -38.97 62.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.426 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -72.44 -45.67 58.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -48.96 -50.94 33.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.89 -45.28 90.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.551 ' CD2' ' O ' ' A' ' 60' ' ' MET . 3.3 m-85 -60.12 -47.76 84.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.593 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 7.5 ptp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.445 0.164 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -74.13 -179.55 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.48 ' HB2' ' CH2' ' A' ' 46' ' ' TRP . . . -59.53 -43.89 93.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.534 ' HA ' ' CE3' ' A' ' 46' ' ' TRP . 3.7 t80 -66.9 -43.67 82.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.2 mt -59.11 -27.15 65.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.5 mt -71.78 -56.81 5.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.778 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 3.9 t80 -59.81 -27.27 66.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.49 ' SG ' ' CD1' ' A' ' 42' ' ' LEU . 17.4 t -77.97 -35.94 49.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 108.33 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.09 -17.69 60.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -90.34 -52.39 4.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.778 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 60.7 m80 -80.49 -11.26 59.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.437 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.73 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.42 -33.74 55.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -58.12 -67.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 30' ' ' HIS . 2.4 t -48.76 -48.83 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.72 -48.91 40.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -61.78 -58.3 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -60.42 -14.64 20.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.522 ' CE1' HD11 ' A' ' 41' ' ' ILE . 44.5 m-70 -139.96 76.37 28.17 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.596 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.84 13.4 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.455 1.766 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.89 -18.09 64.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.593 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -79.92 156.33 27.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -96.95 -57.96 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -176.45 -47.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.5 mmm-85 -62.2 -24.52 67.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.467 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -84.51 -46.41 5.79 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' ' CD1' ' A' ' 42' ' ' LEU . . . -56.06 -18.96 11.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.3 m -83.04 -23.92 33.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.29 -16.61 45.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.522 HD11 ' CE1' ' A' ' 30' ' ' HIS . 11.2 mt -93.4 -27.98 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.368 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.49 ' CD1' ' SG ' ' A' ' 19' ' ' CYS . 3.0 mt -74.93 -38.6 61.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -50.51 -67.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.75 -55.1 4.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -43.47 -40.45 3.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 107.976 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.577 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 46.6 t-105 -77.72 -50.94 11.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.017 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.58 -27.95 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.429 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 6.0 m -111.69 55.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.56 HD22 ' CE3' ' A' ' 46' ' ' TRP . 18.5 tp -125.39 127.62 46.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.438 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -61.79 175.18 0.56 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.343 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.4 Cg_endo -75.0 -49.64 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -39.91 -51.43 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -49.49 75.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.577 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 7.2 mttm -54.49 -42.49 70.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -47.7 -65.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 57' ' ' TYR . 5.0 pttt -46.75 -50.88 17.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 18' ' ' PHE . 16.9 m-85 -57.32 -46.64 83.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.1 m -52.94 -41.55 64.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -60.99 -50.22 74.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.5 mtp -54.63 -41.55 70.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.43 -55.98 6.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.94 -37.2 6.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.86 -51.51 11.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.593 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 1.4 m-85 -57.13 -41.49 79.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.048 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.2 tttt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.55 0.214 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 4.1 p30 -100.38 -176.74 3.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.564 ' HB1' ' CH2' ' A' ' 46' ' ' TRP . . . -64.05 -44.74 91.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.32 -33.08 70.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.958 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.42 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 10.9 mt -67.76 -38.44 83.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.426 HD12 ' CB ' ' A' ' 60' ' ' MET . 18.0 mt -62.6 -62.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.761 ' CZ ' ' CE1' ' A' ' 22' ' ' HIS . 9.5 t80 -53.02 -33.72 53.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' ARG . 5.7 t -72.4 -36.08 68.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 108.317 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -75.44 -15.96 60.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -46.82 8.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 110.296 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.761 ' CE1' ' CZ ' ' A' ' 18' ' ' PHE . 50.6 m80 -89.1 -11.42 44.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.621 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.64 -66.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.448 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -54.38 -42.27 70.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.991 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.62 -67.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.465 HG11 ' CB ' ' A' ' 38' ' ' ALA . 3.2 t -50.67 -60.61 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -38.79 -44.69 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 24' ' ' SER . 3.3 mm100 -68.03 -65.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -50.11 -22.66 1.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.475 ' CE1' HD11 ' A' ' 41' ' ' ILE . 8.5 m-70 -134.26 81.41 50.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.612 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 33' ' ' LEU . 18.3 Cg_endo -75.01 -58.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.84 -30.95 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.46 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -58.73 148.05 30.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 36' ' ' ARG . 1.4 t70 -108.55 51.26 0.75 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 m120 68.9 -66.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' ASP . 1.2 ttm180 -39.32 -45.58 1.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.442 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -70.01 -44.53 60.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.465 ' CB ' HG11 ' A' ' 26' ' ' VAL . . . -56.83 -41.85 78.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.2 m -51.93 -44.06 63.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -62.9 -47.89 81.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.475 HD11 ' CE1' ' A' ' 30' ' ' HIS . 8.5 mt -57.78 -43.8 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.445 ' HG ' ' CG2' ' A' ' 26' ' ' VAL . 2.0 mt -62.9 -37.93 88.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -55.33 -67.01 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' TRP . 62.6 t0 -42.31 -56.52 2.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' ASP . 25.5 m0 -42.31 -43.69 3.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 107.973 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.564 ' CH2' ' HB1' ' A' ' 14' ' ' ALA . 37.8 t-105 -74.04 -52.42 12.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.38 -33.27 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.6 m -105.09 53.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.426 HD23 ' CE3' ' A' ' 46' ' ' TRP . 14.4 tp -125.15 129.22 49.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.453 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -66.71 175.79 1.29 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.453 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.03 -47.36 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.541 1.811 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.44 -45.2 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.91 -51.83 35.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 4.2 mttm -50.66 -35.89 32.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -51.48 -67.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.519 ' HE3' ' CZ ' ' A' ' 57' ' ' TYR . 7.8 pttt -41.26 -50.12 3.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.519 ' CZ ' ' HE3' ' A' ' 56' ' ' LYS . 54.6 m-85 -61.73 -54.47 42.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.1 m -41.02 -39.56 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.351 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -67.64 -54.29 20.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.426 ' CB ' HD12 ' A' ' 17' ' ' LEU . 4.2 mtm -51.66 -51.44 55.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.423 ' N ' HD13 ' A' ' 17' ' ' LEU . . . -63.14 -41.16 99.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -46.16 76.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -68.05 -42.36 80.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -61.41 -46.77 88.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.55 ' SD ' ' CG ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.518 0.199 . . . . 0.0 110.985 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -94.85 -171.91 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.04 -58.94 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.532 ' HA ' ' CE3' ' A' ' 46' ' ' TRP . 3.7 t80 -51.17 -34.68 32.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mt -66.6 -39.01 88.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.1 mt -61.01 -44.96 96.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.759 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 6.4 t80 -73.25 -17.15 61.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 111.054 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 23' ' ' ARG . 49.9 t -85.67 -29.76 23.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.334 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.8 -9.76 57.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -93.64 -56.29 2.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.759 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 25.8 m80 -80.93 -11.37 59.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.07 -65.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.448 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 1.1 m -50.77 -46.16 59.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.409 ' CD1' ' CD ' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -50.15 -71.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.418 ' CG2' ' HG ' ' A' ' 42' ' ' LEU . 3.8 t -46.88 -58.6 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.38 -50.73 5.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 24' ' ' SER . 8.6 mm-40 -62.77 -66.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' CD ' ' CD1' ' A' ' 25' ' ' LEU . 93.8 mt-10 -48.55 -24.27 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 26' ' ' VAL . 19.4 m-70 -135.29 83.04 39.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.588 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -43.43 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.457 1.767 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -61.31 -39.73 91.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.4 ' CD2' ' HB3' ' A' ' 30' ' ' HIS . 2.3 mm? -42.73 154.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' GLY . 1.2 m-20 -103.64 161.1 14.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -41.18 -36.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.22 -42.57 30.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -61.28 -57.89 16.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.46 -45.48 18.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 109.259 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.6 m -55.85 -39.32 71.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.361 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.86 -15.44 62.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mm -91.3 -35.08 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.418 ' HG ' ' CG2' ' A' ' 26' ' ' VAL . 1.0 OUTLIER -78.27 -37.48 44.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.07 -58.09 7.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 45' ' ' TRP . 27.3 t0 -54.67 -58.16 8.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' ASP . 32.3 m0 -42.16 -37.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 53.2 t-105 -78.12 -50.93 11.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.95 -38.4 22.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.5 m -105.24 56.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.509 HD21 ' CD2' ' A' ' 18' ' ' PHE . 32.9 tp -106.73 -108.44 0.31 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.416 ' OD1' ' C ' ' A' ' 49' ' ' LEU . 3.6 p-10 170.87 161.26 0.22 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 50' ' ' ASP . 18.4 Cg_endo -75.02 -28.93 8.72 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -64.36 -43.97 92.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -45.65 40.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.573 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 14.1 mttt -54.1 -29.13 43.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -55.11 -73.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.83 -42.87 3.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -64.05 -45.35 89.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 54' ' ' LYS . 1.6 m -57.97 -35.58 71.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -68.98 -49.71 55.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -50.88 -43.45 59.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.78 -47.38 66.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.1 -52.92 18.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.27 -45.09 94.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.55 ' CG ' ' SD ' ' A' ' 12' ' ' MET . 1.1 m-85 -58.41 -42.97 88.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.458 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 10.1 ptp . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.474 0.178 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -95.11 -177.6 4.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.45 -56.59 18.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.408 ' HD2' ' CD1' ' A' ' 46' ' ' TRP . 27.4 t80 -51.96 -38.47 56.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.66 -39.61 94.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.224 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.8 mt -59.95 -49.52 77.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.796 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 5.0 t80 -60.72 -40.17 91.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 33.7 t -68.71 -27.86 66.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 108.307 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -20.15 45.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -92.95 -43.41 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.796 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 56.1 m80 -87.53 -11.6 48.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.604 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -38.78 -69.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.488 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -51.89 -44.96 63.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.95 -71.01 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.457 HG13 ' CB ' ' A' ' 38' ' ' ALA . 2.4 t -52.2 -61.4 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.79 -40.0 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 24' ' ' SER . 5.0 mm100 -71.63 -61.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -55.99 -17.91 7.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 26' ' ' VAL . 8.1 m-70 -140.17 79.8 21.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.611 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -48.5 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.437 1.756 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.06 -32.52 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -56.51 157.59 5.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' ARG . 5.2 t0 -118.45 51.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.3 t30 67.6 -67.77 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' ASP . 7.3 ttt180 -39.94 -36.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.421 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -81.52 -46.82 6.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.462 ' HA ' ' CD1' ' A' ' 41' ' ' ILE . . . -53.77 -20.75 6.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.4 m -75.81 -13.08 60.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.42 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -37.88 15.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 38' ' ' ALA . 1.6 mp -75.38 -33.28 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 2.9 mt -69.0 -40.0 78.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.74 -69.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 45' ' ' TRP . 12.9 t0 -41.84 -54.35 3.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.421 ' C ' ' O ' ' A' ' 44' ' ' ASP . 20.3 m0 -41.04 -51.25 3.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.0 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.583 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 43.8 t-105 -66.32 -46.56 76.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 107.954 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 44' ' ' ASP . . . -51.04 -24.65 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.6 m -115.83 55.99 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.486 HD23 ' CD2' ' A' ' 18' ' ' PHE . 39.0 tp -122.4 152.29 40.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.435 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -83.06 174.43 6.04 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -74.95 -52.0 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -39.38 -44.97 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -49.27 61.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.245 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.583 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 6.3 mttm -56.1 -29.37 60.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -71.84 -59.02 2.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.4 pttt -53.47 -24.88 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.407 ' CZ ' ' HA ' ' A' ' 18' ' ' PHE . 5.4 m-85 -83.04 -52.38 6.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 111.056 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.96 -37.11 30.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -66.17 -49.93 65.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.557 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 21.4 mtm -55.65 -32.69 63.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.06 -47.3 15.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -27.06 64.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.27 -45.33 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 60' ' ' MET . 2.6 m-85 -66.73 -40.99 88.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.548 0.213 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 13' ' ' ASN . 0.5 OUTLIER -150.42 -174.75 4.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -62.48 -61.82 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.436 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 13.5 t80 -49.81 -33.01 15.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.2 -27.63 65.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.419 HD11 ' N ' ' A' ' 61' ' ' ALA . 21.6 mt -73.54 -42.93 61.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.663 ' CE1' ' CE1' ' A' ' 22' ' ' HIS . 59.3 t80 -67.8 -26.73 66.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 33.0 m -78.54 -41.43 32.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.338 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -9.76 51.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 17' ' ' LEU . 1.1 mmp_? -100.53 -58.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.663 ' CE1' ' CE1' ' A' ' 18' ' ' PHE . 23.3 m80 -76.08 -11.01 59.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.593 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.77 -72.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -41.9 65.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.87 -52.94 13.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 27' ' ' ARG . 1.1 t -62.6 -60.03 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.494 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 8.6 mtm180 -38.77 -33.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -76.9 -59.79 2.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.43 -16.28 34.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.27 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' VAL . 29.3 m-70 -145.63 79.8 11.07 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.625 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -41.98 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.75 -24.01 2.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.535 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -70.69 153.77 42.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -97.99 -69.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -155.68 -67.02 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.71 -32.65 8.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.76 -54.67 7.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.467 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . . . -49.95 -40.55 44.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m -62.01 -42.52 99.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.429 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -25.21 59.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.443 ' HB ' ' CG2' ' A' ' 26' ' ' VAL . 0.9 OUTLIER -80.85 -57.96 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.476 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 1.9 mt -44.0 -41.76 5.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -47.31 -69.57 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -45.44 -50.12 12.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 20.1 m0 -48.75 -40.82 30.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.01 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.57 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 42.5 t-105 -73.85 -53.08 11.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 107.965 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.42 -27.9 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.404 ' N ' ' C ' ' A' ' 46' ' ' TRP . 14.3 m -112.21 54.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.529 HD22 ' CE3' ' A' ' 46' ' ' TRP . 21.9 tp -119.3 151.49 38.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.464 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -84.52 176.58 3.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.1 Cg_endo -75.01 -52.01 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -39.96 -47.26 2.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.524 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -66.33 -46.79 75.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.57 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 13.6 mttt -59.61 -34.58 72.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -61.64 -64.31 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -45.57 -45.25 13.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.524 ' CD2' ' O ' ' A' ' 53' ' ' GLU . 16.4 m-85 -64.29 -49.93 69.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.82 -22.88 59.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.389 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -86.94 -43.08 12.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 19.5 mtm -59.39 -42.72 92.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.419 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -58.04 -48.93 78.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -40.99 64.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -75.54 -47.27 27.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.05 -37.58 33.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.942 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.541 ' SD ' ' CG ' ' A' ' 64' ' ' TYR . 6.8 ptp . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.492 0.187 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -91.8 -175.38 4.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -61.86 -64.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.598 ' CE1' ' SG ' ' A' ' 19' ' ' CYS . 7.3 t80 -47.85 -27.08 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.85 -36.54 62.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' ALA . 23.5 mt -62.83 -56.52 16.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.804 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 7.8 t80 -57.01 -33.31 67.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.598 ' SG ' ' CE1' ' A' ' 15' ' ' PHE . 64.0 m -72.44 -37.77 68.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -11.0 60.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -98.4 -47.25 5.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.804 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 54.9 m80 -86.69 -11.48 51.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.642 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.69 -70.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.271 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.407 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -47.88 -50.01 27.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.018 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.5 -69.49 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.152 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' HIS . 2.8 t -52.54 -62.24 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.01 -34.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 24' ' ' SER . 6.1 mm100 -79.15 -62.62 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -54.32 -19.22 5.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' VAL . 10.1 m-70 -137.84 80.1 31.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.623 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.99 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.95 -30.19 9.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -61.9 151.55 34.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.36 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -94.8 -74.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -148.94 -71.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -45.21 -36.57 3.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.429 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -62.15 -58.97 10.31 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.27 -35.73 67.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.6 m -67.83 -30.18 69.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -15.81 58.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 mt -90.91 -32.45 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 3.1 mt -70.22 -43.4 70.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.16 -69.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' TRP . 0.7 OUTLIER -41.62 -59.25 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' ASP . 18.9 m0 -42.31 -48.55 5.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 108.035 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 33.4 t-105 -65.71 -52.72 49.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 107.994 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -41.69 -35.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.7 m -99.41 49.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.561 HD22 ' CD2' ' A' ' 18' ' ' PHE . 18.0 tp -122.93 127.34 48.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.462 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -65.5 176.05 0.97 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.462 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.2 Cg_endo -74.96 -47.68 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.553 1.817 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.32 -48.17 2.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -46.98 77.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 3.5 mttm -56.61 -38.07 71.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -50.71 -64.34 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.461 ' CG ' ' N ' ' A' ' 57' ' ' TYR . 3.1 pttt -47.52 -49.6 25.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.461 ' N ' ' CG ' ' A' ' 56' ' ' LYS . 27.8 m-85 -58.87 -46.37 87.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 m -57.42 -34.01 68.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -76.53 -36.92 57.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.419 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.0 mtm -68.55 -32.56 72.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.42 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -78.34 -56.77 4.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.32 -23.15 5.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.19 -49.7 6.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.541 ' CG ' ' SD ' ' A' ' 12' ' ' MET . 1.0 OUTLIER -57.75 -50.36 73.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.521 0.2 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -86.09 -178.89 6.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HB3' ' N ' ' A' ' 58' ' ' THR . . . -64.03 -41.72 97.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -66.92 -43.1 84.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.07 -30.77 68.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.4 mt -68.93 -45.01 71.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.784 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 49.8 t80 -63.37 -36.35 83.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 68.1 m -71.34 -37.04 71.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 108.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -9.81 58.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -100.16 -59.11 1.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.257 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.784 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 60.8 m80 -74.25 -10.78 59.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.633 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.36 -68.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 73.9 p -51.23 -49.65 60.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 110.007 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.432 ' HB3' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -42.43 -68.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' HIS . 2.9 t -51.02 -63.34 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.66 -43.3 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.408 ' CG ' ' O ' ' A' ' 24' ' ' SER . 6.4 mm-40 -68.15 -62.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -54.09 -19.34 4.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CE1' HD12 ' A' ' 41' ' ' ILE . 12.7 m-70 -139.68 80.82 20.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.6 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -32.42 5.33 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -25.35 68.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -69.04 151.69 46.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.17 -83.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -141.41 -67.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -48.79 -32.83 9.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.71 -55.56 8.26 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' CB ' HG13 ' A' ' 26' ' ' VAL . . . -58.66 -34.89 71.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.0 m -62.6 -36.91 84.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -66.79 -32.32 73.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.452 HD12 ' CE1' ' A' ' 30' ' ' HIS . 8.4 mt -72.78 -44.35 59.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 3.6 mt -59.32 -37.54 78.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.61 -69.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 48' ' ' VAL . 1.0 OUTLIER -44.6 -54.09 6.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.492 ' CE3' ' HB3' ' A' ' 22' ' ' HIS . 18.2 m0 -42.56 -44.92 4.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 108.006 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.578 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 48.8 t-105 -74.84 -51.37 14.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 108.006 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.27 -24.42 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.467 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 4.8 m -116.16 57.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD21 ' CE3' ' A' ' 46' ' ' TRP . 34.3 tp -124.88 155.98 38.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.466 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -87.01 176.23 3.69 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -74.98 -52.44 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' PRO . 13.4 mttt -38.83 -47.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -52.4 40.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.366 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.578 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 11.1 mttt -53.44 -31.45 45.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.13 -63.07 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -48.07 -28.11 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -82.2 -48.77 10.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.425 ' N ' ' HB3' ' A' ' 14' ' ' ALA . 1.4 m -53.82 -28.77 37.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -75.51 -49.36 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.55 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 23.2 mtm -54.83 -35.1 63.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.3 -50.36 16.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -26.12 68.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -82.47 -40.79 20.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.55 ' CD2' ' O ' ' A' ' 60' ' ' MET . 2.4 m-85 -68.42 -42.26 79.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.495 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 7.1 ptp . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.477 0.179 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -81.94 -174.33 4.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.93 -54.09 30.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -58.41 -33.68 69.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.24 -28.46 67.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 61' ' ' ALA . 17.7 mt -72.12 -49.31 37.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.79 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 11.5 t80 -59.56 -38.6 81.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 58.1 m -68.5 -36.55 79.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.336 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -27.58 63.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -85.83 -58.64 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.79 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 50.6 m80 -69.72 -11.59 60.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.56 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -38.61 -70.2 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' LEU . 71.8 p -48.54 -50.44 32.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.456 ' HB3' ' CH2' ' A' ' 45' ' ' TRP . 0.7 OUTLIER -40.38 -70.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 30' ' ' HIS . 2.6 t -46.92 -62.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.02 -36.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -76.69 -63.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -52.36 -20.73 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.57 ' CD2' HD11 ' A' ' 41' ' ' ILE . 24.5 m-70 -139.84 82.2 18.13 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.608 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -18.24 18.81 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -14.76 59.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.568 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -86.17 156.13 20.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.28 -78.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -144.9 -57.02 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -49.79 -42.55 47.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -76.9 -48.41 8.58 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.3 -42.02 63.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.9 m -64.57 -49.14 72.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.382 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.2 -45.83 23.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.57 HD11 ' CD2' ' A' ' 30' ' ' HIS . 5.3 mt -62.35 -53.62 45.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 3.5 mt -45.83 -41.74 11.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.83 -69.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -43.54 -55.22 4.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.456 ' CH2' ' HB3' ' A' ' 25' ' ' LEU . 16.0 m0 -42.0 -51.37 4.47 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 36.6 t-105 -67.2 -44.38 79.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 107.984 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.75 -30.03 21.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.5 m -109.38 54.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.436 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 17.5 tp -121.99 152.89 39.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.483 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -88.9 177.09 2.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.07 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -39.74 -44.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -50.38 39.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.576 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 12.2 mttt -55.76 -31.34 62.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -67.71 -61.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 57' ' ' TYR . 11.4 pttt -47.31 -30.23 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.415 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 9.1 m-85 -80.1 -49.23 12.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.7 m -54.62 -25.61 27.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -77.8 -43.99 28.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.4 mtm -58.45 -39.75 80.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.42 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -72.08 -55.06 8.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.07 -42.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -53.41 11.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.495 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 3.5 m-85 -54.08 -44.97 71.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.0 tttm . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.569 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 6.8 ptp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.496 0.188 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -78.19 -174.92 3.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.423 ' O ' ' CZ3' ' A' ' 46' ' ' TRP . . . -69.36 -21.76 63.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -84.76 -40.2 17.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.58 -13.79 61.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.4 mt -83.87 -52.58 6.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.722 ' CZ ' ' CD2' ' A' ' 22' ' ' HIS . 11.2 t80 -69.67 -15.24 63.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 1.1 m -84.94 -36.48 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.291 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -16.2 55.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.24 -53.56 4.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.722 ' CD2' ' CZ ' ' A' ' 18' ' ' PHE . 12.0 m80 -79.6 -11.39 59.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.602 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.66 -66.32 0.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.251 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 1.6 p -53.12 -46.13 68.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.17 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.468 HG12 ' CB ' ' A' ' 38' ' ' ALA . 2.7 t -55.36 -62.59 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.07 -41.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 24' ' ' SER . 1.5 mm100 -70.85 -62.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -54.27 -19.27 5.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.545 ' CD2' HD13 ' A' ' 41' ' ' ILE . 9.0 m-70 -139.66 80.86 20.8 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -42.23 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.46 1.768 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -25.21 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -66.64 152.43 45.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.355 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 36' ' ' ARG . 1.2 m-20 -116.36 51.32 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 69.47 -65.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' ASP . 2.9 tmt_? -39.99 -38.99 0.78 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.433 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -81.27 -44.48 8.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.46 1.1 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.468 ' CB ' HG12 ' A' ' 26' ' ' VAL . . . -55.52 -42.11 74.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.4 m -58.55 -24.65 61.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.12 -21.58 39.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.545 HD13 ' CD2' ' A' ' 30' ' ' HIS . 11.4 mt -86.73 -35.27 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 mt -65.01 -44.84 87.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -44.09 -67.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.44 -45.96 47.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -54.47 -30.35 52.8 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 59.7 t-105 -85.55 -51.28 6.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 107.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.76 -44.91 58.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.5 m -69.87 -38.29 75.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.446 HD21 ' CD2' ' A' ' 18' ' ' PHE . 13.9 tp -40.34 145.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.492 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -89.67 177.64 2.35 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.2 Cg_endo -75.02 -43.93 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.5 1.789 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -46.41 -39.64 10.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.409 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -74.62 -50.73 16.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 3.7 mttm -51.35 -22.34 2.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -53.23 -68.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 53' ' ' GLU . 6.0 ptpt -49.81 -40.65 42.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -69.0 -25.52 64.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 54' ' ' LYS . 1.2 m -77.93 -28.29 49.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -85.63 -42.94 13.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.419 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -53.53 -41.9 66.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.15 -43.02 54.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -35.03 62.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -80.87 -46.76 14.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.296 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.569 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 2.9 m-85 -61.48 -37.89 85.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.544 0.211 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.411 ' N ' ' HB2' ' A' ' 16' ' ' LEU . 6.3 t-20 -77.24 169.54 18.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.92 -43.55 49.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -65.6 -38.27 89.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.411 ' HB2' ' N ' ' A' ' 13' ' ' ASN . 14.4 mt -64.78 -20.99 66.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.424 HD11 ' N ' ' A' ' 61' ' ' ALA . 19.6 mt -80.7 -48.17 12.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -66.65 -17.46 64.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 1.8 m -85.22 -45.36 12.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 108.329 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -9.9 59.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -93.64 -55.57 3.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.478 ' O ' ' C ' ' A' ' 23' ' ' ARG . 17.9 m80 -84.75 -10.26 57.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.606 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -32.67 -72.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.82 -43.61 63.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.999 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.579 HD12 ' CZ3' ' A' ' 45' ' ' TRP . 1.0 OUTLIER -46.55 -60.82 2.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.554 HG22 ' CZ3' ' A' ' 45' ' ' TRP . 1.2 t -52.13 -62.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.495 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 3.4 mtm180 -38.64 -43.27 0.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -63.88 -55.89 19.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.455 ' OE1' ' CZ2' ' A' ' 45' ' ' TRP . 72.1 mt-10 -67.55 -8.91 37.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.55 ' CD2' HG22 ' A' ' 41' ' ' ILE . 50.0 m-70 -150.12 76.02 8.76 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.585 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -32.14 5.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -14.52 25.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -77.64 155.37 31.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 36' ' ' ARG . 8.6 t0 -118.1 51.47 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 69.12 -66.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -39.97 -42.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.03 -46.51 8.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.414 1.072 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.17 -44.69 16.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.2 m -52.85 -40.82 63.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.357 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -68.91 -19.86 64.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.55 HG22 ' CD2' ' A' ' 30' ' ' HIS . 2.4 mt -85.05 -40.11 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.444 ' CD2' ' HA ' ' A' ' 19' ' ' CYS . 1.0 OUTLIER -64.3 -44.33 91.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.66 -66.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' TRP . 50.3 t0 -43.18 -59.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.579 ' CZ3' HD12 ' A' ' 25' ' ' LEU . 43.7 m0 -42.17 -50.15 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 108.051 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.572 ' CH2' ' HG2' ' A' ' 54' ' ' LYS . 35.5 t-105 -62.59 -51.58 66.75 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.7 -31.92 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -108.77 55.43 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.57 HD23 ' CE3' ' A' ' 46' ' ' TRP . 22.9 tp -117.74 141.78 48.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.456 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -72.54 175.78 2.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.2 Cg_endo -75.02 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' PRO . 12.1 mttt -39.24 -51.38 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -46.93 88.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.572 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 14.3 mttt -59.81 -43.27 94.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -61.08 -42.43 98.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -61.31 -49.38 77.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.571 ' CD1' ' HE1' ' A' ' 60' ' ' MET . 24.7 m-85 -62.31 -46.52 88.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 m -52.01 -20.78 2.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 110.381 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -84.33 -54.19 4.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.571 ' HE1' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -47.31 -40.56 17.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.424 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -69.91 -52.66 22.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.62 -37.95 13.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -51.14 18.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -59.37 -45.92 90.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 tttt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -116.59 80.53 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.739 . . . . 0.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -90.6 -58.41 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.27 58.59 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.76 140.83 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 110.08 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 p -94.93 108.4 20.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 110.056 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.26 151.87 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.82 -59.07 5.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 0.741 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.23 126.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.81 161.5 44.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -89.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.591 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 2.4 ptp -157.93 -172.62 3.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -152.58 165.29 35.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.356 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.526 ' O ' ' CZ3' ' A' ' 46' ' ' TRP . . . -47.47 -35.81 9.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.457 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 11.4 t80 -81.84 -47.3 12.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mt -59.86 -17.92 40.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.438 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 20.7 mt -79.3 -48.16 14.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.728 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 10.6 t80 -63.76 -25.12 68.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 10.2 t -78.18 -37.44 45.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 108.292 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.78 -12.14 60.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -100.51 -43.69 6.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.728 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 47.1 m80 -89.13 -11.2 44.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.09 -63.17 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.462 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -54.93 -48.92 72.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.964 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.74 -62.48 1.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' HIS . 4.4 t -56.98 -64.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.414 ' O ' ' CA ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -38.45 -38.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 24' ' ' SER . 8.7 mm-40 -70.15 -58.8 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.526 ' C ' ' CG ' ' A' ' 30' ' ' HIS . 17.2 mm-40 -62.44 -12.97 24.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.526 ' CG ' ' C ' ' A' ' 29' ' ' GLU . 1.8 m-70 -159.07 80.09 2.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.594 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.414 ' CA ' ' O ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -75.03 -44.6 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -36.16 60.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -43.69 165.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -112.25 166.04 11.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -46.75 -25.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' ' 34' ' ' ASP . 10.3 mmt85 -87.54 -39.23 15.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.65 -54.23 13.3 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.21 -30.34 68.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.3 m -77.9 -19.68 54.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.44 -24.94 36.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.416 HD13 ' CD2' ' A' ' 30' ' ' HIS . 21.6 mt -82.35 -41.16 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 3.8 mt -60.38 -43.3 96.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.99 -65.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -48.98 -54.64 14.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 12.9 m0 -43.51 -40.84 4.11 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.562 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 34.9 t-105 -75.97 -52.41 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.8 -27.78 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.1 m -109.77 51.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.251 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.6 tp -119.97 143.79 47.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.469 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -76.32 176.35 3.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.02 -53.1 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.502 1.791 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -39.35 -48.48 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -65.17 -50.1 67.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.562 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 11.9 mttm -56.32 -40.51 74.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -53.08 -67.47 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -46.3 -45.67 17.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.438 ' O ' ' CD1' ' A' ' 17' ' ' LEU . 7.1 m-85 -60.98 -49.98 75.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.3 -41.39 68.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.37 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.14 -46.98 88.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.4 mtp -56.19 -42.26 76.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.27 -48.2 44.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -19.1 61.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.52 -40.54 9.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.591 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 2.5 m-85 -70.27 -36.73 74.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -66.71 -59.88 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -41.16 -52.32 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.32 -55.31 9.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 9.1 t80 -59.67 -48.02 83.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -45.91 109.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -143.66 -68.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.17 66.58 4.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -134.77 99.84 12.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -44.71 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.17 78.28 1.67 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -128.77 175.06 8.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -131.26 145.71 52.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 t 179.86 98.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -83.3 157.87 35.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 95.55 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.54 -50.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.4 m -110.68 107.53 17.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.4 124.35 30.58 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.515 0.773 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -170.44 161.14 7.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.59 169.45 18.6 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.84 -58.76 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 0.801 . . . . 0.0 110.051 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -168.66 -59.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.0 -150.18 1.0 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.01 -65.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.42 96.44 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.96 163.15 17.93 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.07 13.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.034 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.445 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -84.78 129.71 34.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -82.94 -174.53 5.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.78 -46.95 67.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.405 ' HD2' ' CD1' ' A' ' 46' ' ' TRP . 11.2 t80 -63.95 -34.31 77.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.0 mt -67.06 -33.55 75.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.88 -59.62 3.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.781 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 5.7 t80 -53.46 -29.93 38.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 9.4 t -73.81 -44.16 56.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.292 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.8 -9.97 59.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -96.21 -54.05 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.781 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 53.8 m80 -81.98 -11.85 58.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.57 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.65 -67.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.412 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -51.21 -46.49 62.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.72 -68.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.445 HG23 ' CZ2' ' A' ' 45' ' ' TRP . 3.1 t -52.89 -62.1 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -38.67 -38.47 0.41 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.412 ' CG ' ' O ' ' A' ' 24' ' ' SER . 2.8 mm100 -72.47 -62.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -55.33 -19.05 7.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' VAL . 3.6 m-70 -141.31 80.9 16.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.611 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.94 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.511 1.795 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -39.92 95.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.402 ' CD2' ' HB3' ' A' ' 30' ' ' HIS . 1.7 mm? -40.54 157.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 37' ' ' GLY . 21.3 t70 -105.31 162.35 13.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -41.56 -33.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -79.77 -44.21 21.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -62.26 -56.49 21.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.429 1.08 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.34 -51.33 55.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.2 m -58.31 -34.72 70.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -40.6 97.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.422 HD12 ' CD2' ' A' ' 30' ' ' HIS . 4.6 mt -68.51 -42.3 83.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 1.2 mt -60.84 -37.05 80.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.75 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -47.04 -51.32 17.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.445 ' CZ2' HG23 ' A' ' 26' ' ' VAL . 23.5 m0 -43.1 -47.48 6.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 107.992 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 36.3 t-105 -71.67 -47.13 56.28 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.2 -26.14 2.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.1 m -113.25 53.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.2 tp -123.4 145.6 48.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.426 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -79.56 174.01 6.8 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.2 Cg_endo -74.96 -44.41 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.511 1.795 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mttp -46.82 -48.31 20.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -64.68 -44.75 89.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.576 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 4.8 mttm -57.53 -32.45 67.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' THR . 5.3 tp60 -57.69 -70.91 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -39.81 -44.73 1.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -67.96 -43.4 79.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.044 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' GLN . 12.3 m -60.57 -24.82 65.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.69 -47.33 12.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.438 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 7.3 mtm -54.09 -41.92 68.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 12' ' ' MET . . . -68.94 -43.81 74.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.03 -48.51 79.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.23 -38.5 88.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.438 ' CD2' ' O ' ' A' ' 60' ' ' MET . 1.2 m-85 -65.92 -36.56 83.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -67.65 -66.69 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -41.98 -45.27 3.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.61 -56.45 21.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -53.48 -59.57 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.6 mmt -38.21 104.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.56 -63.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.21 71.04 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -133.85 104.38 11.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 175.58 11.04 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.7 -58.36 4.49 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.486 ' CD1' ' N ' ' A' ' 76' ' ' ARG . 4.3 t80 -51.35 155.04 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.486 ' N ' ' CD1' ' A' ' 75' ' ' TYR . 1.9 mpt_? -136.65 -69.45 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 95.4 p -175.77 82.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 62.4 -145.53 49.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 171.01 19.15 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -146.48 151.67 37.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.7 m -151.02 126.13 9.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -167.44 133.04 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 109.961 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.1 p -178.81 117.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.964 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.43 101.92 0.63 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.552 1.158 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.1 p -144.84 163.57 33.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 110.034 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 m -100.33 -58.59 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.85 -80.98 0.36 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.4 76.0 2.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 174.73 147.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 mtt85 64.74 163.26 0.12 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.454 ' HD3' ' CE2' ' A' ' 68' ' ' PHE . 18.3 Cg_endo -75.01 159.36 41.41 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.591 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 5.0 ptp -86.35 120.06 27.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -77.04 -174.01 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.486 ' HB2' ' CH2' ' A' ' 46' ' ' TRP . . . -67.79 -42.9 80.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.47 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 3.2 t80 -67.86 -37.67 82.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.55 -28.74 69.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.4 mt -70.36 -57.95 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.745 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 10.5 t80 -51.74 -43.43 62.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 64.4 m -62.78 -38.97 92.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -71.83 -19.91 61.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -90.04 -59.51 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.745 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 39.2 m80 -72.8 -11.09 60.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.582 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -35.91 -66.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 3.9 m -54.6 -46.06 73.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.62 -70.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.467 HG12 ' CB ' ' A' ' 38' ' ' ALA . 2.6 t -49.21 -61.85 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.7 -46.09 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 24' ' ' SER . 5.0 mm100 -66.87 -66.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -48.85 -24.09 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.559 ' CE1' HD11 ' A' ' 41' ' ' ILE . 8.7 m-70 -134.39 82.42 46.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.616 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.779 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.88 -34.38 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -58.05 149.14 24.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.06 -81.79 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -145.96 -57.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -37.72 67.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.442 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -63.3 -57.5 14.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.467 ' CB ' HG12 ' A' ' 26' ' ' VAL . . . -55.84 -41.05 73.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.6 m -56.49 -39.46 73.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -38.67 91.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.559 HD11 ' CE1' ' A' ' 30' ' ' HIS . 4.7 mt -67.43 -46.99 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 1.6 mt -57.9 -32.55 67.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -58.09 -68.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 48' ' ' VAL . 14.5 t70 -44.08 -46.75 8.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.502 ' CZ3' ' HB3' ' A' ' 22' ' ' HIS . 18.8 m0 -47.5 -44.17 25.29 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.558 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 44.9 t-105 -78.03 -46.73 20.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.033 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.76 -22.01 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.456 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 5.3 m -120.63 57.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 tp -127.74 138.76 52.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -68.95 174.11 3.04 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.428 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.1 Cg_endo -75.06 -43.47 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.436 1.756 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -45.15 -54.82 6.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -57.98 -48.72 79.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.558 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 9.4 mttm -53.68 -38.32 64.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -52.57 -72.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -41.74 -43.99 3.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.403 ' CE2' ' HD2' ' A' ' 18' ' ' PHE . 6.6 m-85 -62.51 -53.59 52.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -50.66 -39.78 51.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.421 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -62.44 -47.74 82.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.43 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 7.4 mtm -54.19 -42.24 69.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.11 -51.59 17.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -30.28 47.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.82 -47.42 11.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.591 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 2.5 m-85 -61.29 -45.92 92.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.44 -58.78 3.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -43.12 -43.34 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.69 -57.99 6.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.454 ' CE2' ' HD3' ' A' ' 11' ' ' PRO . 50.0 t80 -40.83 -51.18 3.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.4 ' CA ' ' OD1' ' A' ' 72' ' ' ASN . 4.5 mmt -70.14 81.7 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -107.28 -76.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.5 -60.02 3.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.4 ' OD1' ' CA ' ' A' ' 69' ' ' MET . 0.8 OUTLIER -45.01 104.91 0.41 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 77.97 3.0 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.69 78.74 0.3 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.469 1.105 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.418 ' CD2' ' N ' ' A' ' 76' ' ' ARG . 10.8 t80 -86.2 -59.45 2.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.762 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 76' ' ' ARG . 6.1 mmm180 62.37 145.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.24 -64.32 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.95 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.01 93.6 1.74 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -40.21 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.459 1.768 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 t -172.02 132.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.995 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.9 t -39.76 128.68 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.026 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -71.74 113.31 8.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 0.724 . . . . 0.0 110.016 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 t -132.82 -58.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.003 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.67 112.3 1.49 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.96 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -50.13 128.67 19.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 110.041 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 p -62.37 167.65 4.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.33 -126.65 4.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.17 160.75 35.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.3 85.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 179.52 165.62 0.75 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -167.78 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.595 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 12.4 ptp -127.15 120.06 27.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -77.6 179.38 6.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.414 ' HB2' ' CH2' ' A' ' 46' ' ' TRP . . . -57.23 -41.43 79.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.404 ' HD2' ' CD1' ' A' ' 46' ' ' TRP . 9.8 t80 -67.06 -46.65 73.69 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -55.22 -29.56 58.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.426 HD13 ' N ' ' A' ' 61' ' ' ALA . 17.5 mt -70.2 -54.17 13.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.564 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 9.5 t80 -54.25 -44.05 71.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.952 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 43.7 t -63.95 -36.01 82.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 108.232 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -30.9 67.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -82.22 -59.18 2.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.564 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 44.6 m80 -70.77 -11.09 60.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.579 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.11 -68.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.432 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -54.54 -48.4 72.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.407 ' HB3' ' CZ3' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -42.04 -70.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.47 HG13 ' CB ' ' A' ' 38' ' ' ALA . 2.2 t -50.52 -63.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -38.23 -40.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 24' ' ' SER . 3.1 mm100 -71.65 -65.22 0.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -51.68 -23.16 4.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.549 ' CE1' HD13 ' A' ' 41' ' ' ILE . 6.0 m-70 -135.89 81.62 39.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.616 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -53.53 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.36 -31.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.463 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -59.62 148.66 32.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' ARG . 49.9 m-20 -110.16 51.52 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 69.0 -65.94 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' ASP . 3.5 tpt180 -40.19 -44.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.454 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -76.53 -43.43 19.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.47 ' CB ' HG13 ' A' ' 26' ' ' VAL . . . -58.27 -44.92 88.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 0.802 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m -49.79 -45.36 49.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -37.22 72.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.549 HD13 ' CE1' ' A' ' 30' ' ' HIS . 5.9 mt -66.89 -49.49 73.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 2.1 mt -53.9 -33.26 56.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -59.32 -69.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -45.42 -38.96 6.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.44 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 11.8 m0 -56.27 -45.44 80.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 107.983 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.572 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 47.6 t-105 -75.26 -47.1 29.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.95 -24.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.487 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 4.5 m -119.85 60.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.493 HD21 ' CE3' ' A' ' 46' ' ' TRP . 27.5 tp -127.46 151.17 49.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.78 172.59 9.13 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.93 1.8 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -49.26 -48.09 46.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -43.92 87.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.247 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.572 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 3.1 mttm -59.1 -22.77 61.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.342 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -61.46 -73.78 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.2 -35.62 12.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.4 ' CZ ' ' HA ' ' A' ' 18' ' ' PHE . 4.3 m-85 -68.33 -50.06 56.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.6 -39.38 76.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.46 -53.36 29.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.0 mtm -46.54 -46.15 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.426 ' N ' HD13 ' A' ' 17' ' ' LEU . . . -66.24 -53.21 39.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 109.245 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -39.7 -47.13 1.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.07 -54.14 20.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.595 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 7.9 m-85 -52.68 -45.13 66.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -61.75 -61.81 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -43.34 -52.71 5.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.88 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -45.72 -45.66 14.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.8 mmm -62.49 95.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.0 -61.98 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.9 63.35 6.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -161.92 95.84 1.26 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 73.87 4.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.443 1.759 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . 111.26 -91.61 0.62 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.512 ' CG ' ' N ' ' A' ' 76' ' ' ARG . 24.5 t80 54.35 -86.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 0.776 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.512 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 1.9 mpt_? 70.15 -68.83 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 75' ' ' TYR . 1.9 t 82.48 -57.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.138 . . . . 0.0 110.027 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.2 168.76 0.68 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -53.69 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.476 1.777 . . . . 0.0 111.038 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 55.14 83.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.6 t 41.09 88.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.12 131.84 11.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 109.956 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 m -141.39 119.17 11.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.039 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.94 -114.35 1.31 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 p -98.21 111.82 24.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 p -104.35 139.49 39.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.015 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.57 -171.75 22.8 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.92 173.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.2 165.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 65.65 164.92 0.12 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -173.7 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.414 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 11.8 ptp -121.27 141.03 51.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 6.0 p30 -98.02 179.66 4.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -61.01 -60.92 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -47.98 -25.6 1.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.429 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 6.4 mt -76.64 -36.65 57.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' ALA . 11.3 mt -64.65 -57.33 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.794 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 6.3 t80 -51.84 -35.91 46.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 80.4 m -69.82 -36.53 75.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 108.285 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -75.23 -10.32 59.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.253 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -99.26 -45.04 6.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.794 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 43.9 m80 -89.68 -11.33 42.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.61 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.47 -65.63 0.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 8.2 t -52.03 -48.73 64.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.75 -63.84 0.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.416 ' C ' ' N ' ' A' ' 28' ' ' GLN . 3.5 t -55.69 -61.61 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.31 -29.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 24' ' ' SER . 2.3 mm100 -83.82 -61.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -57.58 -16.63 10.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.569 ' CD2' HG23 ' A' ' 41' ' ' ILE . 21.5 m-70 -141.2 79.16 18.1 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 0.0 109.573 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -41.29 0.67 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.496 1.787 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -20.56 3.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -69.8 153.2 43.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 36' ' ' ARG . 7.3 m-20 -120.35 53.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.435 ' OD1' ' NH2' ' A' ' 23' ' ' ARG . 43.7 t30 69.03 -66.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' ASP . 2.3 mtt180 -39.26 -40.76 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.455 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -80.95 -47.59 6.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.87 -43.77 13.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.9 m -57.54 -42.13 82.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.445 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -20.94 65.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.569 HG23 ' CD2' ' A' ' 30' ' ' HIS . 1.6 mm -83.84 -36.44 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 3.3 mt -69.69 -41.42 75.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.11 -47.6 23.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -60.21 -61.43 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.402 ' C ' ' O ' ' A' ' 44' ' ' ASP . 29.0 m0 -42.3 -50.51 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 107.957 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.571 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 29.3 t-105 -62.14 -51.96 65.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.014 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.08 -33.02 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.4 m -104.36 51.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.474 HD22 ' CE3' ' A' ' 46' ' ' TRP . 20.6 tp -118.22 139.71 50.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.467 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -71.01 176.42 2.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.0 -54.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' PRO . 8.3 mttm -39.77 -52.21 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -49.17 78.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 16.9 mttt -56.62 -46.25 81.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.82 -37.57 88.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -59.44 -56.62 19.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -55.09 -42.34 72.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -52.72 -29.18 25.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.431 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -78.31 -32.07 49.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.574 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.1 mtm -75.36 -26.48 58.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.45 -58.3 2.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.21 -28.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -81.04 -43.22 19.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 60' ' ' MET . 2.6 m-85 -70.07 -38.97 75.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -66.75 -61.46 1.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -41.96 -47.09 4.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.15 -62.54 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -44.82 -52.15 8.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 11.8 mmm -54.34 104.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.09 -61.02 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -113.66 66.34 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -125.18 123.65 25.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 164.66 32.76 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.546 1.814 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 58.94 61.56 7.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -163.11 166.15 23.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.751 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 78' ' ' GLY . 0.0 OUTLIER 172.87 -33.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.2 t 67.45 -69.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.049 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 76' ' ' ARG . . . -41.76 101.25 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -172.88 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.783 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.82 141.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.7 p -154.0 90.73 1.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.8 p -88.21 128.22 35.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.42 117.55 25.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.59 61.55 0.44 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -112.54 132.56 55.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.743 . . . . 0.0 110.033 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.91 92.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.961 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.86 -135.84 4.04 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.453 1.095 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -156.79 101.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.551 ' O ' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER 173.57 -55.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -72.58 154.39 91.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 177.82 8.06 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.465 1.771 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.562 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 4.4 ptp -110.4 120.95 44.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -75.67 -178.26 4.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.468 ' CA ' ' HB3' ' A' ' 57' ' ' TYR . . . -63.4 -28.6 70.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -78.57 -43.92 25.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt -61.31 -15.41 35.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.51 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 38.5 mt -81.14 -52.74 7.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 57' ' ' TYR . 6.5 t80 -59.6 -29.44 67.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 15.4 m -71.93 -44.57 63.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 108.304 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -9.72 58.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.79 -49.93 6.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.467 ' O ' ' C ' ' A' ' 23' ' ' ARG . 16.8 m80 -93.57 -10.05 36.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -33.64 -64.78 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.476 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -53.33 -45.28 69.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -47.78 -62.45 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 30' ' ' HIS . 3.3 t -58.48 -60.88 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -38.6 -33.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.252 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 24' ' ' SER . 0.9 OUTLIER -75.76 -58.27 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -63.67 -12.25 32.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 26' ' ' VAL . 13.8 m-70 -143.19 74.99 17.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -34.24 3.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -30.89 65.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -62.12 152.42 32.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.23 -80.91 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 36' ' ' ARG . 3.9 p30 -151.55 -51.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.422 ' N ' ' OD1' ' A' ' 35' ' ' ASN . 3.5 ttp85 -64.15 -29.92 71.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.12 -50.05 30.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.27 -19.19 7.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 0.787 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.9 m -84.73 -13.09 52.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.17 -33.46 38.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.25 -43.0 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 19' ' ' CYS . 3.5 mt -58.41 -47.07 85.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.74 -58.14 3.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -58.25 -49.11 78.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -49.91 -33.61 17.88 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 46.2 t-105 -82.26 -50.14 9.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 108.033 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.2 -26.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' A' ' 46' ' ' TRP . 11.3 m -114.14 55.82 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.554 HD21 ' CE3' ' A' ' 46' ' ' TRP . 25.7 tp -118.96 154.24 33.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.475 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -88.83 176.74 2.99 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -74.95 -50.47 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -40.77 -47.75 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.476 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -65.85 -49.86 66.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 14.5 mttt -56.54 -35.87 68.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -59.61 -64.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -47.62 -45.11 27.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 18' ' ' PHE . 14.0 m-85 -59.84 -45.63 91.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.1 m -58.22 -39.54 79.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -65.75 -46.98 76.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.1 mtp -61.13 -40.87 95.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -67.34 -52.71 36.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -27.96 51.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -81.91 -46.76 13.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.241 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.562 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 2.2 m-85 -64.74 -41.09 96.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -61.41 -58.91 6.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -41.14 -53.2 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.088 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.4 -62.87 1.31 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.551 ' CZ ' ' O ' ' A' ' 9' ' ' ARG . 4.4 t80 -47.95 -39.02 18.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.9 mmt -88.68 -174.03 4.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? 78.91 -55.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.41 -58.32 7.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -45.51 146.75 1.63 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 79.27 2.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 111.049 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 51.08 87.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.442 1.089 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -120.99 -72.22 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 111.004 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 63.82 142.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 p -114.22 -61.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -135.43 78.21 0.35 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.451 1.094 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 177.73 8.19 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.0 m 57.93 98.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.32 109.75 6.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -71.05 160.61 32.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 110.019 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.4 p -41.28 -58.59 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.02 105.08 0.31 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.21 101.82 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.8 t -178.64 158.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.27 162.98 35.21 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.094 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 70.11 -68.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.781 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.32 86.5 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -44.27 156.66 0.32 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.319 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 161.99 37.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.435 1.755 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.33 134.84 35.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -91.75 -173.84 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . . . -64.33 -41.4 96.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -63.22 -51.13 67.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mt -50.31 -35.68 28.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.422 HD11 ' N ' ' A' ' 61' ' ' ALA . 11.6 mt -64.73 -56.73 11.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.788 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 4.6 t80 -54.08 -36.7 63.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 48.6 t -68.58 -34.69 76.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 108.322 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -76.31 -9.8 58.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -95.57 -50.17 5.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.788 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 38.9 m80 -86.12 -11.33 52.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 0.0 109.566 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.83 -67.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 19.9 p -52.15 -41.95 62.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.987 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.34 -68.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 30' ' ' HIS . 3.2 t -54.14 -60.11 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.0 -45.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 24' ' ' SER . 5.8 mm100 -65.19 -66.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -50.67 -25.41 4.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.631 ' CE1' ' CD1' ' A' ' 41' ' ' ILE . 3.6 m-70 -134.92 82.43 43.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.573 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -38.95 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -40.52 87.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -40.62 156.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -106.22 161.12 14.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -41.43 -33.16 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.35 -44.58 21.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.238 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -62.45 -56.74 19.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.35 -48.43 55.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.2 m -53.3 -42.46 66.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -49.81 67.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.631 ' CD1' ' CE1' ' A' ' 30' ' ' HIS . 4.9 mt -59.9 -48.1 89.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 2.1 mt -55.56 -45.0 77.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.86 -60.77 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -50.37 -56.99 9.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.429 ' CZ3' ' HB3' ' A' ' 22' ' ' HIS . 26.0 m0 -41.92 -40.67 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.687 ' CZ3' ' CD2' ' A' ' 49' ' ' LEU . 51.8 t-105 -75.61 -50.88 14.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 108.033 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.43 -27.18 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' A' ' 46' ' ' TRP . 11.4 m -113.47 54.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.687 ' CD2' ' CZ3' ' A' ' 46' ' ' TRP . 19.8 tp -117.99 145.24 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.487 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -79.57 177.51 2.87 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.4 Cg_endo -74.94 -51.72 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.811 . . . . 0.0 111.047 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.39 -48.9 2.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.442 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -64.23 -51.53 63.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.582 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 10.4 mttm -54.09 -36.15 62.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -60.41 -69.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -41.44 -45.86 3.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.461 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 16.8 m-85 -65.06 -42.77 93.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -57.67 -28.47 63.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -79.27 -54.41 5.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.9 mtm -47.18 -47.72 23.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.422 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -67.73 -46.77 71.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -49.42 -45.49 46.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -68.82 -46.74 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -57.39 -47.38 81.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -58.55 -62.31 1.95 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -41.95 -49.14 4.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.91 -59.73 4.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -52.04 -57.12 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 111.052 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.403 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 4.3 mmt -38.21 -51.65 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -42.72 -55.07 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 72' ' ' ASN . . . -47.87 -61.12 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 71' ' ' ALA . 1.2 m-80 -40.43 100.74 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 75.29 3.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 161.08 57.51 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.484 ' CE1' ' HB2' ' A' ' 77' ' ' SER . 11.3 t80 -173.11 149.54 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 0.755 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.6 mmm-85 -148.03 -48.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.484 ' HB2' ' CE1' ' A' ' 75' ' ' TYR . 0.3 OUTLIER 52.13 93.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.017 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.64 76.67 0.33 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 94.7 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.468 1.772 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 49.17 80.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.8 p -172.1 144.52 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.11 125.07 3.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.751 . . . . 0.0 109.972 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.85 -169.97 1.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.034 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.11 158.85 13.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m 65.17 93.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.62 -66.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.6 92.93 0.58 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.28 -70.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -112.75 -56.1 2.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -47.74 156.32 0.7 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 172.31 16.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.79 138.75 37.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -93.0 -172.0 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . . . -69.83 -50.39 43.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CE1' ' SG ' ' A' ' 19' ' ' CYS . 7.7 t80 -57.63 -41.55 81.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 mt -59.53 -36.12 75.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.4 -52.28 59.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.809 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 4.8 t80 -54.95 -38.46 67.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.563 ' SG ' ' CE1' ' A' ' 15' ' ' PHE . 60.4 m -68.2 -38.96 82.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.276 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -19.26 63.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.56 -56.5 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.809 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 38.2 m80 -76.02 -10.99 59.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.593 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.545 ' CZ ' ' NH1' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -36.33 -69.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.76 -46.2 40.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.0 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.454 ' CG2' ' HG ' ' A' ' 42' ' ' LEU . 2.7 t -50.82 -59.18 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.545 ' NH1' ' CZ ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -41.17 -42.43 2.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 110.338 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -67.77 -63.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -54.98 -19.69 7.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.539 ' CE1' HD12 ' A' ' 41' ' ' ILE . 10.0 m-70 -141.42 81.41 15.41 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.587 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -49.75 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -45.7 -26.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.45 ' CD1' ' HA3' ' A' ' 37' ' ' GLY . 1.0 OUTLIER -64.52 146.15 55.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.14 -87.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -135.96 -64.24 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -52.86 -40.23 63.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.45 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -59.66 -56.11 26.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.46 -47.52 72.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 0.787 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.1 m -61.77 -18.76 61.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.52 -34.96 53.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.539 HD12 ' CE1' ' A' ' 30' ' ' HIS . 7.8 mt -77.7 -49.01 22.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.454 ' HG ' ' CG2' ' A' ' 26' ' ' VAL . 3.1 mt -46.5 -54.06 10.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' ASP . . . -40.44 -68.52 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 43' ' ' ALA . 28.5 t0 -39.84 -60.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.419 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 24.5 m0 -42.28 -56.56 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.572 ' CE3' HD21 ' A' ' 49' ' ' LEU . 21.0 t-105 -55.71 -51.74 66.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 108.04 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.21 -29.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' A' ' 45' ' ' TRP . 27.2 m -111.4 55.82 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.237 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.572 HD21 ' CE3' ' A' ' 46' ' ' TRP . 22.6 tp -120.6 154.49 35.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.439 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -82.3 174.75 5.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.4 Cg_endo -74.94 -51.23 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.444 1.76 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -39.66 -48.9 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.421 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -64.06 -48.58 75.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.572 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 8.0 mttt -56.75 -29.45 62.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.75 -62.46 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -46.51 -31.19 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.443 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 11.8 m-85 -80.81 -43.71 19.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 m -58.13 -28.36 64.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.381 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -76.31 -49.0 18.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.437 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 21.8 mtm -55.37 -45.97 76.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.22 80.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -51.08 65.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.54 -40.37 95.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.437 ' CD2' ' O ' ' A' ' 60' ' ' MET . 1.9 m-85 -62.9 -41.41 99.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -62.2 -63.21 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.84 -53.7 7.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.18 -60.64 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -50.03 -54.61 19.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.2 mmm -46.01 101.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.65 -63.76 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -97.63 65.03 1.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -120.18 140.84 30.62 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -53.03 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.21 57.61 2.79 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.48 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 2.7 t80 -173.18 135.61 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 78' ' ' GLY . 25.4 mmt85 -139.24 85.65 2.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.1 t 64.44 -76.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 76' ' ' ARG . . . 152.89 171.31 20.15 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.43 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.486 1.782 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 p -103.34 167.67 9.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.045 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 49.29 92.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 t -69.22 -58.58 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.787 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 p -73.09 124.69 26.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.7 115.26 0.37 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.447 1.092 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 48.48 83.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.033 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.0 119.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.64 -127.1 9.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.32 75.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.76 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.07 -59.43 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.45 170.36 12.73 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -76.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.446 1.761 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.571 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 6.4 ptp -173.34 168.98 4.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -123.17 -170.05 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.504 ' HB1' ' CZ2' ' A' ' 46' ' ' TRP . . . -74.92 -40.32 60.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -62.62 -51.22 68.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.415 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 16.1 mt -50.81 -34.15 26.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.7 mt -67.79 -39.72 84.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.595 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 19.2 t80 -73.03 -30.33 63.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 1.8 p -76.56 -29.07 56.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 108.326 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.05 -24.0 43.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.01 -57.85 2.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.595 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 29.7 m80 -72.61 -10.91 60.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.579 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -35.81 -71.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.477 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -52.22 -46.1 65.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.7 -62.68 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.442 ' C ' ' N ' ' A' ' 28' ' ' GLN . 2.9 t -57.16 -63.17 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.09 -29.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 24' ' ' SER . 3.3 mm100 -82.5 -58.72 2.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.243 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -61.42 -13.57 21.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.507 ' CD2' HG21 ' A' ' 41' ' ' ILE . 17.5 m-70 -141.86 76.26 20.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.588 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -40.25 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -25.24 7.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -67.91 151.55 46.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -93.1 -66.51 0.92 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -162.78 -58.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -54.86 -31.6 59.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.291 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -74.55 -51.98 7.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.34 -40.46 59.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.2 m -64.45 -38.73 92.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -24.1 66.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.507 HG21 ' CD2' ' A' ' 30' ' ' HIS . 1.3 mm -80.89 -47.23 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.432 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 2.6 mt -57.22 -32.99 67.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -56.88 -68.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.86 -54.3 5.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -44.83 -41.55 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CH2' ' HG2' ' A' ' 54' ' ' LYS . 51.7 t-105 -75.38 -50.76 14.89 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.01 -24.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.478 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 5.3 m -119.99 60.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.464 HD21 ' CE3' ' A' ' 46' ' ' TRP . 46.1 tp -126.85 139.96 52.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.7 OUTLIER -63.99 173.01 1.54 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -74.95 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.799 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -38.85 -52.64 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.439 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -61.39 -52.3 65.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.352 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.573 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 12.0 mttm -53.56 -42.73 67.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -51.67 -68.72 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -46.25 -45.4 17.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.402 ' CE2' ' HD2' ' A' ' 18' ' ' PHE . 4.3 m-85 -58.81 -52.84 64.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.98 -32.77 61.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.371 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -69.23 -38.09 78.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.585 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 11.4 mtm -64.73 -37.0 86.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.58 -46.01 34.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -46.55 66.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -67.77 -43.85 78.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CD2' ' O ' ' A' ' 60' ' ' MET . 2.0 m-85 -62.45 -51.1 68.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.19 -63.33 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.54 -58.31 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.39 -63.52 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -44.19 -55.01 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.6 mmm -68.27 81.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -131.42 10.81 4.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.58 51.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.58 ' O ' ' CD1' ' A' ' 75' ' ' TYR . 5.7 m-80 -142.41 121.91 7.88 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 153.21 41.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.523 1.802 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 40.44 78.8 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 72' ' ' ASN . 4.6 p90 -132.99 -43.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.404 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 0.3 OUTLIER 62.75 91.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.3 p -89.33 138.51 31.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.95 114.85 0.61 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.73 5.28 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.529 1.805 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 90.3 p -110.28 169.08 8.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.3 t -132.36 159.13 40.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 3' ' ' SER . 28.4 p 51.27 92.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 0.0 109.984 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 2' ' ' SER . 1.6 p 164.51 -57.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.92 94.26 0.9 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.0 92.88 8.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.97 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.54 85.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.04 -77.62 0.11 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -173.56 83.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.98 45.11 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -177.51 156.03 1.15 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.299 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -61.58 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.462 ' SD ' ' CG ' ' A' ' 64' ' ' TYR . 7.4 ptp -177.86 -175.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -148.74 -173.8 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.36 -64.2 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -46.3 -40.4 11.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 mt -61.52 -38.64 88.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.426 HD11 ' N ' ' A' ' 61' ' ' ALA . 14.3 mt -63.42 -42.06 98.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.652 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 32.8 t80 -66.45 -34.43 77.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 23' ' ' ARG . 97.9 m -77.08 -29.05 54.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -22.74 54.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.36 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -94.06 -56.72 2.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.652 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 54.4 m80 -70.48 -11.58 61.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.641 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -39.31 -71.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.244 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -47.66 -48.42 28.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.954 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.433 ' HB3' ' CZ3' ' A' ' 45' ' ' TRP . 0.8 OUTLIER -42.94 -66.69 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.461 HG12 ' CB ' ' A' ' 38' ' ' ALA . 2.7 t -52.89 -61.43 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.78 -44.38 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.102 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -66.8 -62.65 1.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -54.53 -19.0 5.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.566 ' CD2' HD11 ' A' ' 41' ' ' ILE . 7.7 m-70 -141.6 81.53 15.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.64 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -36.24 2.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -21.76 61.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.263 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -73.51 153.63 40.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.2 -75.73 0.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -146.44 -68.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.7 mmm-85 -46.67 -42.63 16.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.418 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -60.47 -54.41 37.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.461 ' CB ' HG12 ' A' ' 26' ' ' VAL . . . -60.27 -37.99 82.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 0.806 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.8 m -57.22 -41.48 79.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.398 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -34.73 78.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.566 HD11 ' CD2' ' A' ' 30' ' ' HIS . 5.7 mt -69.67 -43.95 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 3.1 mt -59.81 -40.96 90.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -46.89 -70.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' VAL . 21.3 t70 -42.81 -55.67 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.433 ' CZ3' ' HB3' ' A' ' 25' ' ' LEU . 17.7 m0 -42.63 -44.5 4.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 108.037 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.571 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 56.7 t-105 -73.72 -48.18 33.89 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.35 -24.89 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' ASP . 28.4 m -115.09 55.91 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.508 HD22 ' CD2' ' A' ' 18' ' ' PHE . 22.1 tp -126.52 149.94 49.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.472 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -82.77 176.52 3.74 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.02 -53.49 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 51' ' ' PRO . 5.1 mtmt -39.84 -46.58 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -50.93 54.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 9.4 mttm -55.19 -36.43 65.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 57' ' ' TYR . 2.8 tp60 -63.0 -65.83 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 57' ' ' TYR . 7.1 pttt -42.18 -29.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.411 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 7.5 m-85 -82.55 -51.38 7.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.7 m -52.11 -26.22 10.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -77.21 -48.98 16.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.551 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 14.6 mtm -52.92 -38.97 62.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.426 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -72.44 -45.67 58.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -48.96 -50.94 33.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.89 -45.28 90.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.551 ' CD2' ' O ' ' A' ' 60' ' ' MET . 3.3 m-85 -60.12 -47.76 84.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -59.14 -63.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -40.53 -50.75 2.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -51.04 -61.35 2.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -53.25 -55.54 23.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.525 ' SD ' ' CD1' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -38.21 107.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.11 -61.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.18 67.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -136.4 125.16 15.38 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 163.5 35.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 59.59 54.56 36.69 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.525 ' CD1' ' SD ' ' A' ' 69' ' ' MET . 9.2 t80 -162.59 132.59 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.73 155.22 48.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.7 p -121.91 135.17 54.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.67 155.19 11.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.18 37.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.33 142.9 26.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.021 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 t -106.86 137.21 45.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.977 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.152 . . . . 0.0 110.974 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.06 106.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.017 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 t -105.78 12.34 30.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.15 92.28 1.09 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.88 130.32 11.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 0.803 . . . . 0.0 110.033 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p 178.08 167.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.43 -56.24 0.66 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.84 83.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.772 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.92 82.74 1.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.86 156.33 3.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 134.74 18.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.593 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 7.5 ptp -48.64 109.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -74.13 -179.55 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.48 ' HB2' ' CH2' ' A' ' 46' ' ' TRP . . . -59.53 -43.89 93.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.534 ' HA ' ' CE3' ' A' ' 46' ' ' TRP . 3.7 t80 -66.9 -43.67 82.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.2 mt -59.11 -27.15 65.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.5 mt -71.78 -56.81 5.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.778 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 3.9 t80 -59.81 -27.27 66.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.49 ' SG ' ' CD1' ' A' ' 42' ' ' LEU . 17.4 t -77.97 -35.94 49.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 108.33 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.09 -17.69 60.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -90.34 -52.39 4.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.778 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 60.7 m80 -80.49 -11.26 59.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.73 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.42 -33.74 55.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -58.12 -67.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 30' ' ' HIS . 2.4 t -48.76 -48.83 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.72 -48.91 40.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -61.78 -58.3 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -60.42 -14.64 20.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.522 ' CE1' HD11 ' A' ' 41' ' ' ILE . 44.5 m-70 -139.96 76.37 28.17 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.596 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.84 13.4 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.455 1.766 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.89 -18.09 64.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.593 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -79.92 156.33 27.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -96.95 -57.96 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -176.45 -47.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.5 mmm-85 -62.2 -24.52 67.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.467 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -84.51 -46.41 5.79 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.408 ' O ' ' CD1' ' A' ' 42' ' ' LEU . . . -56.06 -18.96 11.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.3 m -83.04 -23.92 33.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.29 -16.61 45.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.522 HD11 ' CE1' ' A' ' 30' ' ' HIS . 11.2 mt -93.4 -27.98 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.368 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.49 ' CD1' ' SG ' ' A' ' 19' ' ' CYS . 3.0 mt -74.93 -38.6 61.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -50.51 -67.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.75 -55.1 4.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -43.47 -40.45 3.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 107.976 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.577 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 46.6 t-105 -77.72 -50.94 11.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.017 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.58 -27.95 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.429 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 6.0 m -111.69 55.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.56 HD22 ' CE3' ' A' ' 46' ' ' TRP . 18.5 tp -125.39 127.62 46.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.438 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -61.79 175.18 0.56 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.343 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.4 Cg_endo -75.0 -49.64 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -39.91 -51.43 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -49.49 75.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.577 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 7.2 mttm -54.49 -42.49 70.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -47.7 -65.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 57' ' ' TYR . 5.0 pttt -46.75 -50.88 17.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 18' ' ' PHE . 16.9 m-85 -57.32 -46.64 83.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.1 m -52.94 -41.55 64.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -60.99 -50.22 74.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.5 mtp -54.63 -41.55 70.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.43 -55.98 6.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.94 -37.2 6.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.86 -51.51 11.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.593 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 1.4 m-85 -57.13 -41.49 79.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.048 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -62.57 -67.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -42.99 -47.06 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.72 -52.84 63.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -57.27 -52.82 63.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.403 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -46.29 110.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.62 -52.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.47 60.56 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -131.13 102.05 16.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 86.59 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 139.46 53.65 0.05 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -152.38 137.2 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 110.954 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.478 ' N ' ' CD1' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -125.57 158.16 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 110.242 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.2 t -107.92 148.77 29.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.23 -165.95 23.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 158.68 42.1 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.502 1.791 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.4 p -143.65 149.4 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.02 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.9 m 63.59 135.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.972 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 O-C-N 124.488 1.117 . . . . 0.0 111.039 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -140.13 149.49 43.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 109.959 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.71 128.19 52.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.2 108.46 1.03 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.39 141.84 4.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.763 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -76.74 145.05 38.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.87 146.44 12.4 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 62.68 171.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.19 114.89 14.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -162.71 169.71 8.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.468 ' CB ' ' HA ' ' A' ' 65' ' ' LYS . 18.2 Cg_endo -75.04 149.37 36.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.31 142.03 10.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 4.1 p30 -100.38 -176.74 3.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.564 ' HB1' ' CH2' ' A' ' 46' ' ' TRP . . . -64.05 -44.74 91.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.32 -33.08 70.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.958 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.42 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 10.9 mt -67.76 -38.44 83.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.426 HD12 ' CB ' ' A' ' 60' ' ' MET . 18.0 mt -62.6 -62.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.761 ' CZ ' ' CE1' ' A' ' 22' ' ' HIS . 9.5 t80 -53.02 -33.72 53.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' ARG . 5.7 t -72.4 -36.08 68.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 108.317 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -75.44 -15.96 60.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -46.82 8.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 110.296 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.761 ' CE1' ' CZ ' ' A' ' 18' ' ' PHE . 50.6 m80 -89.1 -11.42 44.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.621 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.64 -66.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.448 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -54.38 -42.27 70.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.991 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.62 -67.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.465 HG11 ' CB ' ' A' ' 38' ' ' ALA . 3.2 t -50.67 -60.61 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -38.79 -44.69 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 24' ' ' SER . 3.3 mm100 -68.03 -65.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -50.11 -22.66 1.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.475 ' CE1' HD11 ' A' ' 41' ' ' ILE . 8.5 m-70 -134.26 81.41 50.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.612 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 33' ' ' LEU . 18.3 Cg_endo -75.01 -58.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.84 -30.95 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.46 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.7 OUTLIER -58.73 148.05 30.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 36' ' ' ARG . 1.4 t70 -108.55 51.26 0.75 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 m120 68.9 -66.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' ASP . 1.2 ttm180 -39.32 -45.58 1.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.442 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -70.01 -44.53 60.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.465 ' CB ' HG11 ' A' ' 26' ' ' VAL . . . -56.83 -41.85 78.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.2 m -51.93 -44.06 63.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp -62.9 -47.89 81.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.475 HD11 ' CE1' ' A' ' 30' ' ' HIS . 8.5 mt -57.78 -43.8 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.445 ' HG ' ' CG2' ' A' ' 26' ' ' VAL . 2.0 mt -62.9 -37.93 88.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -55.33 -67.01 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' TRP . 62.6 t0 -42.31 -56.52 2.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' ASP . 25.5 m0 -42.31 -43.69 3.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 107.973 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.564 ' CH2' ' HB1' ' A' ' 14' ' ' ALA . 37.8 t-105 -74.04 -52.42 12.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.38 -33.27 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.6 m -105.09 53.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.426 HD23 ' CE3' ' A' ' 46' ' ' TRP . 14.4 tp -125.15 129.22 49.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.453 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -66.71 175.79 1.29 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.453 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.03 -47.36 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.541 1.811 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.44 -45.2 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.91 -51.83 35.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 4.2 mttm -50.66 -35.89 32.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -51.48 -67.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.519 ' HE3' ' CZ ' ' A' ' 57' ' ' TYR . 7.8 pttt -41.26 -50.12 3.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.519 ' CZ ' ' HE3' ' A' ' 56' ' ' LYS . 54.6 m-85 -61.73 -54.47 42.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.1 m -41.02 -39.56 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.351 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -67.64 -54.29 20.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.426 ' CB ' HD12 ' A' ' 17' ' ' LEU . 4.2 mtm -51.66 -51.44 55.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.423 ' N ' HD13 ' A' ' 17' ' ' LEU . . . -63.14 -41.16 99.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -46.16 76.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -68.05 -42.36 80.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -61.41 -46.77 88.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.468 ' HA ' ' CB ' ' A' ' 11' ' ' PRO . 9.5 ttpt -57.51 -62.6 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -46.77 -42.08 16.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.98 -58.98 6.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 69' ' ' MET . 32.8 t80 -51.4 -57.16 9.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' PHE . 6.5 mmt -37.82 105.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.88 -60.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.29 75.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -142.01 127.68 10.73 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -58.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -80.9 90.97 1.39 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -168.0 170.92 10.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -146.49 87.02 1.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.3 t -67.77 150.0 49.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.975 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -118.53 178.32 16.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -52.81 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.14 82.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.4 p -96.15 115.46 27.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.6 127.41 46.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -124.51 -58.56 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.22 129.68 47.96 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.434 1.084 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.97 -54.51 3.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 0.799 . . . . 0.0 110.029 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m 62.92 127.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.032 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.49 58.59 0.68 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.61 96.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.441 ' O ' ' CE1' ' A' ' 68' ' ' PHE . 1.9 mmt180 -127.21 -44.47 1.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.0 mtp85 -107.81 157.35 36.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 162.25 37.57 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.55 ' SD ' ' CG ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -85.07 136.91 33.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -94.85 -171.91 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.04 -58.94 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.532 ' HA ' ' CE3' ' A' ' 46' ' ' TRP . 3.7 t80 -51.17 -34.68 32.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mt -66.6 -39.01 88.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.1 mt -61.01 -44.96 96.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.759 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 6.4 t80 -73.25 -17.15 61.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 111.054 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 23' ' ' ARG . 49.9 t -85.67 -29.76 23.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.334 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.8 -9.76 57.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -93.64 -56.29 2.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.759 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 25.8 m80 -80.93 -11.37 59.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.07 -65.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.448 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 1.1 m -50.77 -46.16 59.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.409 ' CD1' ' CD ' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -50.15 -71.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.418 ' CG2' ' HG ' ' A' ' 42' ' ' LEU . 3.8 t -46.88 -58.6 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.38 -50.73 5.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 24' ' ' SER . 8.6 mm-40 -62.77 -66.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' CD ' ' CD1' ' A' ' 25' ' ' LEU . 93.8 mt-10 -48.55 -24.27 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.414 ' N ' ' O ' ' A' ' 26' ' ' VAL . 19.4 m-70 -135.29 83.04 39.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.588 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -43.43 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.457 1.767 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -61.31 -39.73 91.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.4 ' CD2' ' HB3' ' A' ' 30' ' ' HIS . 2.3 mm? -42.73 154.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' GLY . 1.2 m-20 -103.64 161.1 14.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -41.18 -36.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.22 -42.57 30.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -61.28 -57.89 16.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.46 -45.48 18.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 109.259 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.6 m -55.85 -39.32 71.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.361 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.86 -15.44 62.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mm -91.3 -35.08 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.418 ' HG ' ' CG2' ' A' ' 26' ' ' VAL . 1.0 OUTLIER -78.27 -37.48 44.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.07 -58.09 7.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 45' ' ' TRP . 27.3 t0 -54.67 -58.16 8.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' ASP . 32.3 m0 -42.16 -37.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 53.2 t-105 -78.12 -50.93 11.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.95 -38.4 22.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.5 m -105.24 56.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.509 HD21 ' CD2' ' A' ' 18' ' ' PHE . 32.9 tp -106.73 -108.44 0.31 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.416 ' OD1' ' C ' ' A' ' 49' ' ' LEU . 3.6 p-10 170.87 161.26 0.22 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 50' ' ' ASP . 18.4 Cg_endo -75.02 -28.93 8.72 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -64.36 -43.97 92.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -45.65 40.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.573 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 14.1 mttt -54.1 -29.13 43.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -55.11 -73.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.83 -42.87 3.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -64.05 -45.35 89.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 54' ' ' LYS . 1.6 m -57.97 -35.58 71.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -68.98 -49.71 55.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -50.88 -43.45 59.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.78 -47.38 66.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.1 -52.92 18.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.27 -45.09 94.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.55 ' CG ' ' SD ' ' A' ' 12' ' ' MET . 1.1 m-85 -58.41 -42.97 88.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -54.55 -57.11 12.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' LYS . 9.7 t70 -40.31 -51.43 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.62 -58.7 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.251 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.441 ' CE1' ' O ' ' A' ' 9' ' ' ARG . 86.4 t80 -49.62 -45.89 48.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.3 mmt -80.76 -173.86 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt 71.29 -60.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.53 -54.03 6.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -51.08 152.09 4.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -57.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.468 1.773 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -123.05 98.22 0.6 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -120.57 -45.09 2.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.759 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 65.13 117.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.06 -59.48 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.978 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.73 173.73 43.45 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.537 1.148 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.37 42.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.2 p -60.19 -58.33 8.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.93 137.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.974 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 70.78 -61.8 0.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 0.743 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.2 m -150.36 110.46 4.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.65 102.6 1.22 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 p -69.26 102.96 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 0.783 . . . . 0.0 110.033 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.28 137.88 17.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.89 148.88 20.89 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.59 -65.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 0.805 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.35 -50.99 5.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 10' ' ' ARG . 5.2 ptp180 -43.63 157.24 0.27 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.6 33.02 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.458 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 10.1 ptp -78.57 133.84 37.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -95.11 -177.6 4.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.45 -56.59 18.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.408 ' HD2' ' CD1' ' A' ' 46' ' ' TRP . 27.4 t80 -51.96 -38.47 56.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.66 -39.61 94.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.224 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.8 mt -59.95 -49.52 77.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.796 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 5.0 t80 -60.72 -40.17 91.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 33.7 t -68.71 -27.86 66.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 108.307 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -20.15 45.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -92.95 -43.41 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.796 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 56.1 m80 -87.53 -11.6 48.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.604 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -38.78 -69.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.488 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -51.89 -44.96 63.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.95 -71.01 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.457 HG13 ' CB ' ' A' ' 38' ' ' ALA . 2.4 t -52.2 -61.4 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.79 -40.0 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 24' ' ' SER . 5.0 mm100 -71.63 -61.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -55.99 -17.91 7.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 26' ' ' VAL . 8.1 m-70 -140.17 79.8 21.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.611 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -48.5 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.437 1.756 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.06 -32.52 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -56.51 157.59 5.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' ARG . 5.2 t0 -118.45 51.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.3 t30 67.6 -67.77 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' ASP . 7.3 ttt180 -39.94 -36.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -81.52 -46.82 6.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.462 ' HA ' ' CD1' ' A' ' 41' ' ' ILE . . . -53.77 -20.75 6.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.4 m -75.81 -13.08 60.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.42 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -37.88 15.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.462 ' CD1' ' HA ' ' A' ' 38' ' ' ALA . 1.6 mp -75.38 -33.28 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 2.9 mt -69.0 -40.0 78.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.74 -69.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 45' ' ' TRP . 12.9 t0 -41.84 -54.35 3.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.421 ' C ' ' O ' ' A' ' 44' ' ' ASP . 20.3 m0 -41.04 -51.25 3.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.0 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.583 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 43.8 t-105 -66.32 -46.56 76.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 107.954 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 44' ' ' ASP . . . -51.04 -24.65 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.6 m -115.83 55.99 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.486 HD23 ' CD2' ' A' ' 18' ' ' PHE . 39.0 tp -122.4 152.29 40.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.435 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -83.06 174.43 6.04 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -74.95 -52.0 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -39.38 -44.97 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -49.27 61.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.245 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.583 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 6.3 mttm -56.1 -29.37 60.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -71.84 -59.02 2.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.4 pttt -53.47 -24.88 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.407 ' CZ ' ' HA ' ' A' ' 18' ' ' PHE . 5.4 m-85 -83.04 -52.38 6.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 111.056 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.96 -37.11 30.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -66.17 -49.93 65.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.557 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 21.4 mtm -55.65 -32.69 63.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.06 -47.3 15.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -27.06 64.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.27 -45.33 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 60' ' ' MET . 2.6 m-85 -66.73 -40.99 88.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -64.28 -62.2 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -47.13 -49.94 21.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.81 -62.4 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -40.18 -51.88 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.505 ' HE3' ' CD2' ' A' ' 75' ' ' TYR . 19.1 mmt -50.3 97.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.85 -63.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.66 64.89 8.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -133.34 117.64 14.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.48 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.792 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -85.95 -134.73 3.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.505 ' CD2' ' HE3' ' A' ' 69' ' ' MET . 34.2 t80 55.49 111.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 0.784 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.43 88.39 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.7 t -40.93 116.06 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.951 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.11 157.22 11.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -178.16 3.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.43 148.16 43.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.033 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.7 t -137.86 156.42 47.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.62 121.26 9.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 0.738 . . . . 0.0 110.018 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m -141.44 84.38 1.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.64 -157.22 41.73 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.91 123.86 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 0.725 . . . . 0.0 110.05 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -160.32 129.32 4.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.04 98.29 0.26 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.87 174.15 6.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -68.24 94.42 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.461 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 9.2 ttt180 -165.53 139.59 3.84 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 10' ' ' ARG . 18.4 Cg_endo -74.96 -88.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.799 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.81 -168.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 13' ' ' ASN . 0.5 OUTLIER -150.42 -174.75 4.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -62.48 -61.82 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.436 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 13.5 t80 -49.81 -33.01 15.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.2 -27.63 65.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.419 HD11 ' N ' ' A' ' 61' ' ' ALA . 21.6 mt -73.54 -42.93 61.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.663 ' CE1' ' CE1' ' A' ' 22' ' ' HIS . 59.3 t80 -67.8 -26.73 66.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 33.0 m -78.54 -41.43 32.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.338 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -9.76 51.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 17' ' ' LEU . 1.1 mmp_? -100.53 -58.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.663 ' CE1' ' CE1' ' A' ' 18' ' ' PHE . 23.3 m80 -76.08 -11.01 59.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.593 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.77 -72.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -41.9 65.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.87 -52.94 13.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 27' ' ' ARG . 1.1 t -62.6 -60.03 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.494 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 8.6 mtm180 -38.77 -33.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -76.9 -59.79 2.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.43 -16.28 34.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.27 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' VAL . 29.3 m-70 -145.63 79.8 11.07 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.625 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -41.98 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.75 -24.01 2.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.535 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -70.69 153.77 42.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -97.99 -69.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -155.68 -67.02 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.71 -32.65 8.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.76 -54.67 7.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.467 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . . . -49.95 -40.55 44.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m -62.01 -42.52 99.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.429 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -25.21 59.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.443 ' HB ' ' CG2' ' A' ' 26' ' ' VAL . 0.9 OUTLIER -80.85 -57.96 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.476 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 1.9 mt -44.0 -41.76 5.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -47.31 -69.57 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -45.44 -50.12 12.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 20.1 m0 -48.75 -40.82 30.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.01 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.57 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 42.5 t-105 -73.85 -53.08 11.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 107.965 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.42 -27.9 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.404 ' N ' ' C ' ' A' ' 46' ' ' TRP . 14.3 m -112.21 54.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.529 HD22 ' CE3' ' A' ' 46' ' ' TRP . 21.9 tp -119.3 151.49 38.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.464 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -84.52 176.58 3.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.1 Cg_endo -75.01 -52.01 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -39.96 -47.26 2.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.524 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -66.33 -46.79 75.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.57 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 13.6 mttt -59.61 -34.58 72.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -61.64 -64.31 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -45.57 -45.25 13.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.524 ' CD2' ' O ' ' A' ' 53' ' ' GLU . 16.4 m-85 -64.29 -49.93 69.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.82 -22.88 59.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.389 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -86.94 -43.08 12.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 19.5 mtm -59.39 -42.72 92.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.419 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -58.04 -48.93 78.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -40.99 64.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -75.54 -47.27 27.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.05 -37.58 33.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -63.79 -52.36 60.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -40.29 -36.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.95 -60.62 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.431 ' O ' ' N ' ' A' ' 70' ' ' LYS . 14.4 t80 -47.13 -62.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.511 ' SD ' ' CD2' ' A' ' 75' ' ' TYR . 1.6 mmt -40.84 95.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 68' ' ' PHE . 2.5 mmtp -97.14 -51.28 4.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -122.06 -77.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 42.23 90.49 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.359 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -32.1 5.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.11 56.31 3.26 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.546 ' CE1' ' HB2' ' A' ' 77' ' ' SER . 10.9 t80 -145.59 -78.01 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.551 0.795 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.463 ' O ' ' CB ' ' A' ' 77' ' ' SER . 0.1 OUTLIER 65.0 -77.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.546 ' HB2' ' CE1' ' A' ' 75' ' ' TYR . 2.4 t 82.94 -67.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 109.968 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 135.87 87.08 0.23 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 149.76 36.84 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.18 86.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.0 p -130.49 120.99 24.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.51 148.59 24.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -164.6 127.23 2.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.08 -158.91 8.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 p -101.12 94.01 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 110.06 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 p -86.1 169.43 13.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.996 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.43 174.01 43.2 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.06 146.66 15.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.64 95.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.249 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.401 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -157.82 168.4 12.53 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 10' ' ' ARG . 18.4 Cg_endo -74.99 166.59 28.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.541 ' SD ' ' CG ' ' A' ' 64' ' ' TYR . 6.8 ptp -86.38 125.51 33.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -91.8 -175.38 4.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 17' ' ' LEU . . . -61.86 -64.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.598 ' CE1' ' SG ' ' A' ' 19' ' ' CYS . 7.3 t80 -47.85 -27.08 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.85 -36.54 62.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' ALA . 23.5 mt -62.83 -56.52 16.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.804 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 7.8 t80 -57.01 -33.31 67.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.598 ' SG ' ' CE1' ' A' ' 15' ' ' PHE . 64.0 m -72.44 -37.77 68.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -11.0 60.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -98.4 -47.25 5.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.804 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 54.9 m80 -86.69 -11.48 51.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.642 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.69 -70.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.271 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.407 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -47.88 -50.01 27.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.018 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.5 -69.49 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.152 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' HIS . 2.8 t -52.54 -62.24 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.01 -34.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 24' ' ' SER . 6.1 mm100 -79.15 -62.62 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -54.32 -19.22 5.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' VAL . 10.1 m-70 -137.84 80.1 31.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.623 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.99 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.95 -30.19 9.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -61.9 151.55 34.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.36 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -94.8 -74.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -148.94 -71.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -45.21 -36.57 3.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.429 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -62.15 -58.97 10.31 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -56.27 -35.73 67.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.6 m -67.83 -30.18 69.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -15.81 58.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 mt -90.91 -32.45 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 3.1 mt -70.22 -43.4 70.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.16 -69.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' TRP . 0.7 OUTLIER -41.62 -59.25 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' ASP . 18.9 m0 -42.31 -48.55 5.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 108.035 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 33.4 t-105 -65.71 -52.72 49.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 107.994 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -41.69 -35.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.7 m -99.41 49.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.561 HD22 ' CD2' ' A' ' 18' ' ' PHE . 18.0 tp -122.93 127.34 48.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.462 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -65.5 176.05 0.97 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.462 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.2 Cg_endo -74.96 -47.68 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.553 1.817 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.32 -48.17 2.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.45 -46.98 77.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 3.5 mttm -56.61 -38.07 71.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -50.71 -64.34 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.461 ' CG ' ' N ' ' A' ' 57' ' ' TYR . 3.1 pttt -47.52 -49.6 25.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.461 ' N ' ' CG ' ' A' ' 56' ' ' LYS . 27.8 m-85 -58.87 -46.37 87.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 m -57.42 -34.01 68.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -76.53 -36.92 57.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.419 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 3.0 mtm -68.55 -32.56 72.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.42 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -78.34 -56.77 4.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.32 -23.15 5.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.19 -49.7 6.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.541 ' CG ' ' SD ' ' A' ' 12' ' ' MET . 1.0 OUTLIER -57.75 -50.36 73.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.97 -63.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -40.79 -48.79 3.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.72 -48.22 77.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -56.82 -50.73 71.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.1 mmt -78.35 94.07 4.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -113.89 -61.85 1.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.26 73.89 5.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -139.79 103.85 6.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 100.59 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.26 82.52 0.75 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.62 ' CG ' ' N ' ' A' ' 76' ' ' ARG . 5.3 p90 -119.05 -44.83 2.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.774 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.62 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -165.26 -45.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.8 t -50.67 120.04 4.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.95 157.1 53.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 97.63 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.2 m 62.41 159.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.9 t 45.8 94.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 p 54.51 170.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -120.88 78.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.96 137.86 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -147.75 -57.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.85 -61.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.007 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.03 -111.85 0.72 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 73.59 55.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 176.25 75.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.67 156.48 1.14 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 160.24 40.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 111.041 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.88 130.74 38.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -86.09 -178.89 6.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HB3' ' N ' ' A' ' 58' ' ' THR . . . -64.03 -41.72 97.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -66.92 -43.1 84.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.07 -30.77 68.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.4 mt -68.93 -45.01 71.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.784 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 49.8 t80 -63.37 -36.35 83.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.462 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 68.1 m -71.34 -37.04 71.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 108.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -9.81 58.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -100.16 -59.11 1.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.257 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.784 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 60.8 m80 -74.25 -10.78 59.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.633 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.36 -68.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 73.9 p -51.23 -49.65 60.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 110.007 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' HB3' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -42.43 -68.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' HIS . 2.9 t -51.02 -63.34 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.66 -43.3 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.408 ' CG ' ' O ' ' A' ' 24' ' ' SER . 6.4 mm-40 -68.15 -62.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -54.09 -19.34 4.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CE1' HD12 ' A' ' 41' ' ' ILE . 12.7 m-70 -139.68 80.82 20.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.6 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -32.42 5.33 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -25.35 68.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -69.04 151.69 46.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.17 -83.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -141.41 -67.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -48.79 -32.83 9.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.71 -55.56 8.26 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' CB ' HG13 ' A' ' 26' ' ' VAL . . . -58.66 -34.89 71.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.0 m -62.6 -36.91 84.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -66.79 -32.32 73.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.452 HD12 ' CE1' ' A' ' 30' ' ' HIS . 8.4 mt -72.78 -44.35 59.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 3.6 mt -59.32 -37.54 78.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.61 -69.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 48' ' ' VAL . 1.0 OUTLIER -44.6 -54.09 6.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.492 ' CE3' ' HB3' ' A' ' 22' ' ' HIS . 18.2 m0 -42.56 -44.92 4.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 108.006 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.578 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 48.8 t-105 -74.84 -51.37 14.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 108.006 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.27 -24.42 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.467 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 4.8 m -116.16 57.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD21 ' CE3' ' A' ' 46' ' ' TRP . 34.3 tp -124.88 155.98 38.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.466 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -87.01 176.23 3.69 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -74.98 -52.44 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' PRO . 13.4 mttt -38.83 -47.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -52.4 40.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.366 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.578 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 11.1 mttt -53.44 -31.45 45.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.13 -63.07 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -48.07 -28.11 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -82.2 -48.77 10.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.425 ' N ' ' HB3' ' A' ' 14' ' ' ALA . 1.4 m -53.82 -28.77 37.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -75.51 -49.36 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.55 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 23.2 mtm -54.83 -35.1 63.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.3 -50.36 16.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -26.12 68.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -82.47 -40.79 20.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.55 ' CD2' ' O ' ' A' ' 60' ' ' MET . 2.4 m-85 -68.42 -42.26 79.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -49.36 -57.0 7.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -44.21 -49.3 9.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.39 -50.07 74.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -58.3 -40.0 80.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.561 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 4.2 mmt -88.88 -174.0 4.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 69' ' ' MET . 10.5 tptp 90.25 -38.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.04 47.37 1.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -160.73 143.39 9.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -172.9 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 39.96 56.73 2.61 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 69' ' ' MET . 14.8 t80 -165.0 159.6 18.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 0.732 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.401 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -144.25 -54.74 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.275 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.4 t 172.64 -57.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.97 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 144.29 -131.96 4.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.96 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 153.17 41.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.78 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.95 170.05 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.024 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.92 155.37 18.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.9 OUTLIER 81.14 162.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 110.003 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.3 m -98.26 175.48 6.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.88 -122.96 4.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.559 1.162 . . . . 0.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 t -159.05 108.51 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 110.021 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.45 168.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.994 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.52 -80.75 1.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 58.95 102.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.76 89.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.488 ' CD ' ' HD2' ' A' ' 11' ' ' PRO . 20.7 tpp180 -169.94 136.44 1.33 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.488 ' HD2' ' CD ' ' A' ' 10' ' ' ARG . 18.4 Cg_endo -74.99 -167.49 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.525 1.802 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.495 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 7.1 ptp -134.06 127.71 32.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -81.94 -174.33 4.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.93 -54.09 30.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -58.41 -33.68 69.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.2 mt -68.24 -28.46 67.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 61' ' ' ALA . 17.7 mt -72.12 -49.31 37.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.79 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 11.5 t80 -59.56 -38.6 81.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 58.1 m -68.5 -36.55 79.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.336 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -27.58 63.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -85.83 -58.64 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.79 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 50.6 m80 -69.72 -11.59 60.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.56 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -38.61 -70.2 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' LEU . 71.8 p -48.54 -50.44 32.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.456 ' HB3' ' CH2' ' A' ' 45' ' ' TRP . 0.7 OUTLIER -40.38 -70.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.405 ' O ' ' N ' ' A' ' 30' ' ' HIS . 2.6 t -46.92 -62.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.02 -36.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -76.69 -63.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -52.36 -20.73 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.57 ' CD2' HD11 ' A' ' 41' ' ' ILE . 24.5 m-70 -139.84 82.2 18.13 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.608 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -18.24 18.81 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -14.76 59.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.568 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -86.17 156.13 20.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.28 -78.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -144.9 -57.02 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -49.79 -42.55 47.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -76.9 -48.41 8.58 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -52.3 -42.02 63.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.9 m -64.57 -49.14 72.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.382 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.2 -45.83 23.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.57 HD11 ' CD2' ' A' ' 30' ' ' HIS . 5.3 mt -62.35 -53.62 45.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 22' ' ' HIS . 3.5 mt -45.83 -41.74 11.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.83 -69.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -43.54 -55.22 4.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.456 ' CH2' ' HB3' ' A' ' 25' ' ' LEU . 16.0 m0 -42.0 -51.37 4.47 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 36.6 t-105 -67.2 -44.38 79.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 107.984 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.75 -30.03 21.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.5 m -109.38 54.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.436 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 17.5 tp -121.99 152.89 39.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.483 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -88.9 177.09 2.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.07 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -39.74 -44.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -50.38 39.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.576 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 12.2 mttt -55.76 -31.34 62.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -67.71 -61.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 57' ' ' TYR . 11.4 pttt -47.31 -30.23 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.415 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 9.1 m-85 -80.1 -49.23 12.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.7 m -54.62 -25.61 27.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -77.8 -43.99 28.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.4 mtm -58.45 -39.75 80.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.42 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -72.08 -55.06 8.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.07 -42.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -53.41 11.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.495 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 3.5 m-85 -54.08 -44.97 71.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -62.28 -63.98 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -40.55 -48.73 2.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.41 -57.78 9.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 70' ' ' LYS . 29.5 t80 -49.57 -52.58 29.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.544 ' HE3' ' CD2' ' A' ' 75' ' ' TYR . 3.4 mmt -58.18 85.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -105.08 -62.35 1.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.75 -76.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 42.9 84.15 0.19 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 80.01 2.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.516 1.798 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.61 57.25 1.19 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.544 ' CD2' ' HE3' ' A' ' 69' ' ' MET . 53.5 t80 -58.98 -63.84 1.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 0.757 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 43.15 90.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.4 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -178.47 82.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.997 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.88 97.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -42.37 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.465 1.771 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 82' ' ' GLY . 46.4 t -149.88 125.73 10.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.1 t 66.88 -71.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 80' ' ' SER . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -98.3 104.25 16.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 0.767 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.43 -59.88 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.83 -74.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.17 101.56 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.75 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.65 149.14 24.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.011 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.2 -60.22 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.65 146.73 42.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 0.78 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.33 -65.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.255 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -74.45 157.4 86.36 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -168.59 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.569 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 6.8 ptp -134.83 129.46 34.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -78.19 -174.92 3.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.423 ' O ' ' CZ3' ' A' ' 46' ' ' TRP . . . -69.36 -21.76 63.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -84.76 -40.2 17.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.58 -13.79 61.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.4 mt -83.87 -52.58 6.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.722 ' CZ ' ' CD2' ' A' ' 22' ' ' HIS . 11.2 t80 -69.67 -15.24 63.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 1.1 m -84.94 -36.48 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.291 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -16.2 55.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.24 -53.56 4.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.722 ' CD2' ' CZ ' ' A' ' 18' ' ' PHE . 12.0 m80 -79.6 -11.39 59.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.602 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.66 -66.32 0.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.251 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 1.6 p -53.12 -46.13 68.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.17 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.468 HG12 ' CB ' ' A' ' 38' ' ' ALA . 2.7 t -55.36 -62.59 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.07 -41.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 24' ' ' SER . 1.5 mm100 -70.85 -62.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -54.27 -19.27 5.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.545 ' CD2' HD13 ' A' ' 41' ' ' ILE . 9.0 m-70 -139.66 80.86 20.8 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -42.23 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.46 1.768 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -25.21 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -66.64 152.43 45.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.355 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 36' ' ' ARG . 1.2 m-20 -116.36 51.32 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 69.47 -65.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' ASP . 2.9 tmt_? -39.99 -38.99 0.78 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.433 ' HA3' ' CD1' ' A' ' 33' ' ' LEU . . . -81.27 -44.48 8.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.46 1.1 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.468 ' CB ' HG12 ' A' ' 26' ' ' VAL . . . -55.52 -42.11 74.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.4 m -58.55 -24.65 61.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.12 -21.58 39.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.545 HD13 ' CD2' ' A' ' 30' ' ' HIS . 11.4 mt -86.73 -35.27 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.8 mt -65.01 -44.84 87.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -44.09 -67.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.44 -45.96 47.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -54.47 -30.35 52.8 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 59.7 t-105 -85.55 -51.28 6.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 107.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.76 -44.91 58.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.5 m -69.87 -38.29 75.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.446 HD21 ' CD2' ' A' ' 18' ' ' PHE . 13.9 tp -40.34 145.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.492 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -89.67 177.64 2.35 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.2 Cg_endo -75.02 -43.93 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.5 1.789 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -46.41 -39.64 10.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.409 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -74.62 -50.73 16.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 3.7 mttm -51.35 -22.34 2.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -53.23 -68.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 53' ' ' GLU . 6.0 ptpt -49.81 -40.65 42.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -69.0 -25.52 64.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 54' ' ' LYS . 1.2 m -77.93 -28.29 49.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -85.63 -42.94 13.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.419 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -53.53 -41.9 66.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.15 -43.02 54.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -35.03 62.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -80.87 -46.76 14.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.296 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.569 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 2.9 m-85 -61.48 -37.89 85.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -68.73 -57.78 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -46.57 -35.32 5.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.96 -56.82 9.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -45.67 -39.79 8.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 mmt -67.51 87.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -151.74 33.9 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -169.19 -50.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -43.12 116.24 2.0 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -43.39 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 111.042 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.47 -58.2 1.74 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.557 ' CE1' ' O ' ' A' ' 76' ' ' ARG . 10.3 t80 -60.84 155.92 18.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.557 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -130.54 156.65 44.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.261 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 t -119.92 134.33 55.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -135.59 -173.8 13.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 84.05 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.788 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.6 p -149.44 94.12 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.93 -58.13 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 56.31 107.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.779 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -44.15 152.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.984 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.25 120.74 0.91 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 m -68.08 143.75 55.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.38 169.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.96 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.14 178.13 40.86 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.14 -179.05 5.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.67 125.31 20.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 ptt-85 -158.88 156.45 26.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 152.38 40.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.68 119.46 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.411 ' N ' ' HB2' ' A' ' 16' ' ' LEU . 6.3 t-20 -77.24 169.54 18.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.92 -43.55 49.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -65.6 -38.27 89.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.411 ' HB2' ' N ' ' A' ' 13' ' ' ASN . 14.4 mt -64.78 -20.99 66.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.424 HD11 ' N ' ' A' ' 61' ' ' ALA . 19.6 mt -80.7 -48.17 12.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -66.65 -17.46 64.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 1.8 m -85.22 -45.36 12.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 108.329 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -9.9 59.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -93.64 -55.57 3.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.478 ' O ' ' C ' ' A' ' 23' ' ' ARG . 17.9 m80 -84.75 -10.26 57.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.606 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -32.67 -72.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.82 -43.61 63.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.999 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.579 HD12 ' CZ3' ' A' ' 45' ' ' TRP . 1.0 OUTLIER -46.55 -60.82 2.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.554 HG22 ' CZ3' ' A' ' 45' ' ' TRP . 1.2 t -52.13 -62.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.495 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 3.4 mtm180 -38.64 -43.27 0.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -63.88 -55.89 19.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.455 ' OE1' ' CZ2' ' A' ' 45' ' ' TRP . 72.1 mt-10 -67.55 -8.91 37.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.55 ' CD2' HG22 ' A' ' 41' ' ' ILE . 50.0 m-70 -150.12 76.02 8.76 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.585 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -32.14 5.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -14.52 25.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -77.64 155.37 31.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 36' ' ' ARG . 8.6 t0 -118.1 51.47 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 69.12 -66.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -39.97 -42.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -79.03 -46.51 8.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.414 1.072 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.17 -44.69 16.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.2 m -52.85 -40.82 63.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.357 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -68.91 -19.86 64.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.55 HG22 ' CD2' ' A' ' 30' ' ' HIS . 2.4 mt -85.05 -40.11 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.444 ' CD2' ' HA ' ' A' ' 19' ' ' CYS . 1.0 OUTLIER -64.3 -44.33 91.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.66 -66.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 45' ' ' TRP . 50.3 t0 -43.18 -59.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.579 ' CZ3' HD12 ' A' ' 25' ' ' LEU . 43.7 m0 -42.17 -50.15 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 108.051 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.572 ' CH2' ' HG2' ' A' ' 54' ' ' LYS . 35.5 t-105 -62.59 -51.58 66.75 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.7 -31.92 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -108.77 55.43 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.57 HD23 ' CE3' ' A' ' 46' ' ' TRP . 22.9 tp -117.74 141.78 48.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.456 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -72.54 175.78 2.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.2 Cg_endo -75.02 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' PRO . 12.1 mttt -39.24 -51.38 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -46.93 88.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.572 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 14.3 mttt -59.81 -43.27 94.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -61.08 -42.43 98.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -61.31 -49.38 77.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.571 ' CD1' ' HE1' ' A' ' 60' ' ' MET . 24.7 m-85 -62.31 -46.52 88.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 m -52.01 -20.78 2.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 110.381 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -84.33 -54.19 4.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.571 ' HE1' ' CD1' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -47.31 -40.56 17.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.424 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -69.91 -52.66 22.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.62 -37.95 13.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -51.14 18.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -59.37 -45.92 90.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 66' ' ' ASP . 2.9 tttt -51.62 -64.86 0.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' LYS . 17.9 t70 -40.31 -34.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.3 -55.91 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -39.69 -48.32 2.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.982 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 23.6 mmt -76.02 85.94 2.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -148.79 -64.21 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.42 66.17 8.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -143.72 121.4 6.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -48.53 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.543 1.812 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.66 -133.64 0.02 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.427 ' CG ' ' N ' ' A' ' 76' ' ' ARG . 60.1 t80 52.59 174.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.427 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 6.3 tpp180 179.67 115.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.0 t -64.27 79.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' ARG . . . -77.2 -145.67 2.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 157.21 42.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.84 -60.0 1.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.3 m -56.64 94.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.591 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 2.4 ptp . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.527 0.203 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.443 ' HA ' ' HB1' ' A' ' 61' ' ' ALA . 36.2 m-80 -152.58 165.29 35.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.356 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.548 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -47.47 -35.81 9.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.434 ' HA ' ' CE3' ' A' ' 46' ' ' TRP . 11.4 t80 -81.84 -47.3 12.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mt -59.86 -17.92 40.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 14' ' ' ALA . 20.7 mt -79.3 -48.16 14.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.728 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 10.6 t80 -63.76 -25.12 68.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.949 ' HA ' HD22 ' A' ' 42' ' ' LEU . 10.2 t -78.18 -37.44 45.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 108.292 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.78 -12.14 60.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.561 HH21 ' HE1' ' A' ' 60' ' ' MET . 1.5 mtt180 -100.51 -43.69 6.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.728 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 47.1 m80 -89.13 -11.2 44.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.09 -63.17 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.462 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -54.93 -48.92 72.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.964 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.711 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -43.74 -62.48 1.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.682 HG21 ' HG ' ' A' ' 42' ' ' LEU . 4.4 t -56.98 -64.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.414 ' O ' ' CA ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -38.45 -38.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 24' ' ' SER . 8.7 mm-40 -70.15 -58.8 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.526 ' C ' ' CG ' ' A' ' 30' ' ' HIS . 17.2 mm-40 -62.44 -12.97 24.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.526 ' CG ' ' C ' ' A' ' 29' ' ' GLU . 1.8 m-70 -159.07 80.09 2.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.594 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.414 ' CA ' ' O ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -75.03 -44.6 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -36.16 60.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' A' ' 30' ' ' HIS . 1.5 mm? -43.69 165.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -112.25 166.04 11.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -46.75 -25.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' ' 34' ' ' ASP . 10.3 mmt85 -87.54 -39.23 15.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.468 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -69.65 -54.23 13.3 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.428 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -59.21 -30.34 68.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.3 m -77.9 -19.68 54.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.44 -24.94 36.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.6 mt -82.35 -41.16 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.949 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.8 mt -60.38 -43.3 96.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.99 -65.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.561 ' O ' HG22 ' A' ' 48' ' ' VAL . 6.3 t0 -48.98 -54.64 14.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.711 ' HH2' HD12 ' A' ' 25' ' ' LEU . 12.9 m0 -43.51 -40.84 4.11 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.562 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 34.9 t-105 -75.97 -52.41 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.8 -27.78 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 44' ' ' ASP . 24.1 m -109.77 51.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.251 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.688 HD23 ' HG3' ' A' ' 54' ' ' LYS . 21.6 tp -119.97 143.79 47.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.469 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -76.32 176.35 3.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.02 -53.1 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.502 1.791 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -39.35 -48.48 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -65.17 -50.1 67.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.688 ' HG3' HD23 ' A' ' 49' ' ' LEU . 11.9 mttm -56.32 -40.51 74.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -53.08 -67.47 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -46.3 -45.67 17.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.438 ' O ' ' CD1' ' A' ' 17' ' ' LEU . 7.1 m-85 -60.98 -49.98 75.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.513 ' HA ' ' HB2' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -54.3 -41.39 68.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.37 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.14 -46.98 88.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.561 ' HE1' HH21 ' A' ' 21' ' ' ARG . 1.4 mtp -56.19 -42.26 76.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.443 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -72.27 -48.2 44.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -19.1 61.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.52 -40.54 9.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.591 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 2.5 m-85 -70.27 -36.73 74.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.497 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.477 0.179 . . . . 0.0 111.04 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' H ' HD12 ' A' ' 16' ' ' LEU . 85.2 m-20 -82.94 -174.53 5.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -68.78 -46.95 67.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -63.95 -34.31 77.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.45 HD12 ' H ' ' A' ' 13' ' ' ASN . 19.0 mt -67.06 -33.55 75.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.533 HD21 ' CE2' ' A' ' 64' ' ' TYR . 16.8 mt -65.88 -59.62 3.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.781 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 5.7 t80 -53.46 -29.93 38.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.713 ' HA ' HD22 ' A' ' 42' ' ' LEU . 9.4 t -73.81 -44.16 56.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.292 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.8 -9.97 59.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -96.21 -54.05 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.781 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 53.8 m80 -81.98 -11.85 58.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.57 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.65 -67.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.412 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -51.21 -46.49 62.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.738 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -45.72 -68.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.542 HG21 ' HG ' ' A' ' 42' ' ' LEU . 3.1 t -52.89 -62.1 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -38.67 -38.47 0.41 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.412 ' CG ' ' O ' ' A' ' 24' ' ' SER . 2.8 mm100 -72.47 -62.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -55.33 -19.05 7.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.523 ' HB3' HD23 ' A' ' 33' ' ' LEU . 2.4 m80 -141.31 80.9 16.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.611 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.94 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.511 1.795 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -39.92 95.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.523 HD23 ' HB3' ' A' ' 30' ' ' HIS . 1.7 mm? -40.54 157.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 37' ' ' GLY . 21.3 t70 -105.31 162.35 13.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -41.56 -33.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -79.77 -44.21 21.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -62.26 -56.49 21.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.429 1.08 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.34 -51.33 55.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.2 m -58.31 -34.72 70.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -40.6 97.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.424 HD12 ' CG ' ' A' ' 30' ' ' HIS . 4.6 mt -68.51 -42.3 83.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.713 HD22 ' HA ' ' A' ' 19' ' ' CYS . 1.2 mt -60.84 -37.05 80.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.75 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.501 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 7.2 t70 -47.04 -51.32 17.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.738 ' HH2' HD12 ' A' ' 25' ' ' LEU . 23.5 m0 -43.1 -47.48 6.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 107.992 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 36.3 t-105 -71.67 -47.13 56.28 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -49.2 -26.14 2.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 48' ' ' VAL . 21.1 m -113.25 53.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.692 HD23 ' HG3' ' A' ' 54' ' ' LYS . 15.2 tp -123.4 145.6 48.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.426 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -79.56 174.01 6.8 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.2 Cg_endo -74.96 -44.41 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.511 1.795 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mttp -46.82 -48.31 20.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -64.68 -44.75 89.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.692 ' HG3' HD23 ' A' ' 49' ' ' LEU . 4.8 mttm -57.53 -32.45 67.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' THR . 5.3 tp60 -57.69 -70.91 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -39.81 -44.73 1.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -67.96 -43.4 79.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.044 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' GLN . 12.3 m -60.57 -24.82 65.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.69 -47.33 12.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.46 ' HB2' HD13 ' A' ' 17' ' ' LEU . 7.3 mtm -54.09 -41.92 68.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.497 ' HB1' ' O ' ' A' ' 12' ' ' MET . . . -68.94 -43.81 74.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.03 -48.51 79.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.23 -38.5 88.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.533 ' CE2' HD21 ' A' ' 17' ' ' LEU . 1.2 m-85 -65.92 -36.56 83.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.591 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 5.0 ptp . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.514 0.197 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -77.04 -174.01 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.644 ' HB1' ' HH2' ' A' ' 46' ' ' TRP . . . -67.79 -42.9 80.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.47 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 3.2 t80 -67.86 -37.67 82.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.55 -28.74 69.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.443 HD13 ' HB2' ' A' ' 60' ' ' MET . 18.4 mt -70.36 -57.95 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.745 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 10.5 t80 -51.74 -43.43 62.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.917 ' HA ' HD22 ' A' ' 42' ' ' LEU . 64.4 m -62.78 -38.97 92.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -71.83 -19.91 61.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -90.04 -59.51 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.745 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 39.2 m80 -72.8 -11.09 60.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.582 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -35.91 -66.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 3.9 m -54.6 -46.06 73.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.472 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -46.62 -70.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.649 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.6 t -49.21 -61.85 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.7 -46.09 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 24' ' ' SER . 5.0 mm100 -66.87 -66.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -48.85 -24.09 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.552 ' CE1' HD13 ' A' ' 41' ' ' ILE . 8.7 m-70 -134.39 82.42 46.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.616 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.779 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.88 -34.38 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.679 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.4 OUTLIER -58.05 149.14 24.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.06 -81.79 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -145.96 -57.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -37.72 67.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.679 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -63.3 -57.5 14.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.636 ' HB1' HG12 ' A' ' 26' ' ' VAL . . . -55.84 -41.05 73.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.6 m -56.49 -39.46 73.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -64.4 -38.67 91.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.552 HD13 ' CE1' ' A' ' 30' ' ' HIS . 4.7 mt -67.43 -46.99 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.917 HD22 ' HA ' ' A' ' 19' ' ' CYS . 1.6 mt -57.9 -32.55 67.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -58.09 -68.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.591 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 14.5 t70 -44.08 -46.75 8.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.502 ' CZ3' ' HB3' ' A' ' 22' ' ' HIS . 18.8 m0 -47.5 -44.17 25.29 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.644 ' HH2' ' HB1' ' A' ' 14' ' ' ALA . 44.9 t-105 -78.03 -46.73 20.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.033 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.591 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -51.76 -22.01 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 48' ' ' VAL . 5.3 m -120.63 57.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.741 HD23 ' HG3' ' A' ' 54' ' ' LYS . 13.6 tp -127.74 138.76 52.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -68.95 174.11 3.04 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.428 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.1 Cg_endo -75.06 -43.47 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.436 1.756 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -45.15 -54.82 6.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.488 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -57.98 -48.72 79.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.741 ' HG3' HD23 ' A' ' 49' ' ' LEU . 9.4 mttm -53.68 -38.32 64.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -52.57 -72.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -41.74 -43.99 3.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -62.51 -53.59 52.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -50.66 -39.78 51.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.421 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -62.44 -47.74 82.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.443 ' HB2' HD13 ' A' ' 17' ' ' LEU . 7.4 mtm -54.19 -42.24 69.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.11 -51.59 17.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -30.28 47.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.82 -47.42 11.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.591 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 2.5 m-85 -61.29 -45.92 92.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.595 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 12.4 ptp . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.451 0.167 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -77.6 179.38 6.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.449 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -57.23 -41.43 79.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -67.06 -46.65 73.69 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 16' ' ' LEU . 12.6 mt -55.22 -29.56 58.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.505 HD13 ' HB2' ' A' ' 60' ' ' MET . 17.5 mt -70.2 -54.17 13.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.628 ' HE2' HD13 ' A' ' 49' ' ' LEU . 9.5 t80 -54.25 -44.05 71.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.952 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.977 ' HA ' HD22 ' A' ' 42' ' ' LEU . 43.7 t -63.95 -36.01 82.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 108.232 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -30.9 67.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -82.22 -59.18 2.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.6 ' HB2' HD23 ' A' ' 42' ' ' LEU . 34.6 m-70 -70.77 -11.09 60.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.579 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.11 -68.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.432 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -54.54 -48.4 72.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.456 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -42.04 -70.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.795 HG12 ' HB1' ' A' ' 38' ' ' ALA . 2.2 t -50.52 -63.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.413 ' N ' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -38.23 -40.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 24' ' ' SER . 3.1 mm100 -71.65 -65.22 0.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -51.68 -23.16 4.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.539 ' CE1' HD13 ' A' ' 41' ' ' ILE . 6.0 m-70 -135.89 81.62 39.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.616 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -53.53 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.36 -31.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.652 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.6 OUTLIER -59.62 148.66 32.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' ARG . 49.9 m-20 -110.16 51.52 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 69.0 -65.94 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' ASP . 3.5 tpt180 -40.19 -44.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.652 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -76.53 -43.43 19.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.795 ' HB1' HG12 ' A' ' 26' ' ' VAL . . . -58.27 -44.92 88.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 0.802 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m -49.79 -45.36 49.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -57.31 -37.22 72.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.539 HD13 ' CE1' ' A' ' 30' ' ' HIS . 5.9 mt -66.89 -49.49 73.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.977 HD22 ' HA ' ' A' ' 19' ' ' CYS . 2.1 mt -53.9 -33.26 56.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 40' ' ' LYS . . . -59.32 -69.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.583 ' O ' HG22 ' A' ' 48' ' ' VAL . 7.4 t0 -45.42 -38.96 6.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.456 ' HH2' HD12 ' A' ' 25' ' ' LEU . 11.8 m0 -56.27 -45.44 80.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 107.983 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.571 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 47.6 t-105 -75.26 -47.1 29.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.479 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -48.95 -24.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 48' ' ' VAL . 4.5 m -119.85 60.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.628 HD13 ' HE2' ' A' ' 18' ' ' PHE . 27.5 tp -127.46 151.17 49.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.78 172.59 9.13 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.93 1.8 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -49.26 -48.09 46.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.604 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -65.76 -43.92 87.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.247 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 3.1 mttm -59.1 -22.77 61.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.342 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -61.46 -73.78 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.2 -35.62 12.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.433 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 4.3 m-85 -68.33 -50.06 56.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.6 -39.38 76.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.46 -53.36 29.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.505 ' HB2' HD13 ' A' ' 17' ' ' LEU . 22.0 mtm -46.54 -46.15 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.444 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -66.24 -53.21 39.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 109.245 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -39.7 -47.13 1.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.07 -54.14 20.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.595 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 7.9 m-85 -52.68 -45.13 66.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 tttt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.414 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 11.8 ptp . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.54 0.21 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 6.0 p30 -98.02 179.66 4.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.494 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -61.01 -60.92 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -47.98 -25.6 1.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 16' ' ' LEU . 6.4 mt -76.64 -36.65 57.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.557 HD21 ' CD2' ' A' ' 64' ' ' TYR . 11.3 mt -64.65 -57.33 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.794 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 6.3 t80 -51.84 -35.91 46.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.888 ' HA ' HD22 ' A' ' 42' ' ' LEU . 80.4 m -69.82 -36.53 75.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 108.285 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -75.23 -10.32 59.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.253 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -99.26 -45.04 6.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.794 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 43.9 m80 -89.68 -11.33 42.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.61 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.47 -65.63 0.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 8.2 t -52.03 -48.73 64.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.629 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -45.75 -63.84 0.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.5 HG21 ' HG ' ' A' ' 42' ' ' LEU . 3.5 t -55.69 -61.61 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.31 -29.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 24' ' ' SER . 2.3 mm100 -83.82 -61.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -57.58 -16.63 10.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.569 ' CD2' HG21 ' A' ' 41' ' ' ILE . 21.5 m-70 -141.2 79.16 18.1 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 0.0 109.573 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -41.29 0.67 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.496 1.787 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -20.56 3.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -69.8 153.2 43.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 36' ' ' ARG . 7.3 m-20 -120.35 53.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.435 ' OD1' ' NH2' ' A' ' 23' ' ' ARG . 43.7 t30 69.03 -66.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' ASP . 2.3 mtt180 -39.26 -40.76 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.528 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -80.95 -47.59 6.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.87 -43.77 13.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.9 m -57.54 -42.13 82.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.445 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -20.94 65.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.569 HG21 ' CD2' ' A' ' 30' ' ' HIS . 1.6 mm -83.84 -36.44 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.888 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.3 mt -69.69 -41.42 75.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.11 -47.6 23.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -60.21 -61.43 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.629 ' HH2' HD12 ' A' ' 25' ' ' LEU . 29.0 m0 -42.3 -50.51 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 107.957 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.572 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 29.3 t-105 -62.14 -51.96 65.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.014 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.08 -33.02 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.4 m -104.36 51.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.728 HD23 ' HG3' ' A' ' 54' ' ' LYS . 20.6 tp -118.22 139.71 50.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.467 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -71.01 176.42 2.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.0 -54.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' PRO . 8.3 mttm -39.77 -52.21 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -49.17 78.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.728 ' HG3' HD23 ' A' ' 49' ' ' LEU . 16.9 mttt -56.62 -46.25 81.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.82 -37.57 88.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -59.44 -56.62 19.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -55.09 -42.34 72.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -52.72 -29.18 25.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.431 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -78.31 -32.07 49.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.574 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.1 mtm -75.36 -26.48 58.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.45 -58.3 2.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.21 -28.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -81.04 -43.22 19.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 60' ' ' MET . 2.6 m-85 -70.07 -38.97 75.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 tttm . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.948 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.562 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 4.4 ptp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.438 0.161 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -75.67 -178.26 4.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -63.4 -28.6 70.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -78.57 -43.92 25.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt -61.31 -15.41 35.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 14' ' ' ALA . 38.5 mt -81.14 -52.74 7.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 57' ' ' TYR . 6.5 t80 -59.6 -29.44 67.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.983 ' HA ' HD22 ' A' ' 42' ' ' LEU . 15.4 m -71.93 -44.57 63.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 108.304 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -9.72 58.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.79 -49.93 6.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.467 ' O ' ' C ' ' A' ' 23' ' ' ARG . 16.8 m80 -93.57 -10.05 36.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -33.64 -64.78 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.476 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -53.33 -45.28 69.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.502 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -47.78 -62.45 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 30' ' ' HIS . 3.3 t -58.48 -60.88 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -38.6 -33.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.252 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 24' ' ' SER . 0.9 OUTLIER -75.76 -58.27 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -63.67 -12.25 32.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 26' ' ' VAL . 9.6 m80 -143.19 74.99 17.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -34.24 3.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -30.89 65.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -62.12 152.42 32.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.23 -80.91 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 36' ' ' ARG . 3.9 p30 -151.55 -51.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.422 ' N ' ' OD1' ' A' ' 35' ' ' ASN . 3.5 ttp85 -64.15 -29.92 71.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.422 ' C ' HD12 ' A' ' 33' ' ' LEU . . . -70.12 -50.05 30.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.625 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -55.27 -19.19 7.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 0.787 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.9 m -84.73 -13.09 52.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.17 -33.46 38.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.25 -43.0 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.983 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.5 mt -58.41 -47.07 85.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.74 -58.14 3.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -58.25 -49.11 78.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.502 ' HH2' HD12 ' A' ' 25' ' ' LEU . 12.8 m0 -49.91 -33.61 17.88 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 46.2 t-105 -82.26 -50.14 9.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 108.033 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.2 -26.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 48' ' ' VAL . 11.3 m -114.14 55.82 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.543 HD23 ' HG3' ' A' ' 54' ' ' LYS . 25.7 tp -118.96 154.24 33.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.475 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -88.83 176.74 2.99 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -74.95 -50.47 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -40.77 -47.75 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.476 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -65.85 -49.86 66.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 14.5 mttt -56.54 -35.87 68.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -59.61 -64.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -47.62 -45.11 27.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.529 ' CZ ' ' HB2' ' A' ' 18' ' ' PHE . 14.0 m-85 -59.84 -45.63 91.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.1 m -58.22 -39.54 79.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -65.75 -46.98 76.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.454 ' HB2' HD13 ' A' ' 17' ' ' LEU . 4.1 mtp -61.13 -40.87 95.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.538 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -67.34 -52.71 36.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -27.96 51.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -81.91 -46.76 13.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.241 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.562 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 2.2 m-85 -64.74 -41.09 96.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.544 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.497 0.189 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -91.75 -173.84 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.607 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -64.33 -41.4 96.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -63.22 -51.13 67.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mt -50.31 -35.68 28.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.513 HD21 ' CE2' ' A' ' 64' ' ' TYR . 11.6 mt -64.73 -56.73 11.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.788 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 4.6 t80 -54.08 -36.7 63.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.773 ' SG ' HD13 ' A' ' 42' ' ' LEU . 48.6 t -68.58 -34.69 76.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 108.322 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -76.31 -9.8 58.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -95.57 -50.17 5.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.788 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 38.9 m80 -86.12 -11.33 52.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 0.0 109.566 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.83 -67.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 19.9 p -52.15 -41.95 62.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.987 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.603 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -50.34 -68.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.525 HG21 ' HG ' ' A' ' 42' ' ' LEU . 3.2 t -54.14 -60.11 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.0 -45.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 24' ' ' SER . 5.8 mm100 -65.19 -66.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -50.67 -25.41 4.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.527 ' HB3' HD23 ' A' ' 33' ' ' LEU . 2.4 m80 -134.92 82.43 43.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.573 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -38.95 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -40.52 87.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.527 HD23 ' HB3' ' A' ' 30' ' ' HIS . 2.0 mm? -40.62 156.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -106.22 161.12 14.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -41.43 -33.16 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.35 -44.58 21.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.238 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -62.45 -56.74 19.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.35 -48.43 55.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.2 m -53.3 -42.46 66.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -53.67 -49.81 67.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.474 ' CD1' ' CD2' ' A' ' 30' ' ' HIS . 4.9 mt -59.9 -48.1 89.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.773 HD13 ' SG ' ' A' ' 19' ' ' CYS . 2.1 mt -55.56 -45.0 77.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 40' ' ' LYS . . . -45.86 -60.77 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -50.37 -56.99 9.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.603 ' HH2' HD12 ' A' ' 25' ' ' LEU . 26.0 m0 -41.92 -40.67 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.798 ' CE3' HD22 ' A' ' 49' ' ' LEU . 51.8 t-105 -75.61 -50.88 14.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 108.033 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.43 -27.18 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 48' ' ' VAL . 11.4 m -113.47 54.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.832 HD23 ' HG3' ' A' ' 54' ' ' LYS . 19.8 tp -117.99 145.24 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.487 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -79.57 177.51 2.87 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.4 Cg_endo -74.94 -51.72 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.811 . . . . 0.0 111.047 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.39 -48.9 2.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.623 ' HG2' HD11 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -64.23 -51.53 63.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.832 ' HG3' HD23 ' A' ' 49' ' ' LEU . 10.4 mttm -54.09 -36.15 62.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -60.41 -69.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -41.44 -45.86 3.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.607 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 16.8 m-85 -65.06 -42.77 93.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -57.67 -28.47 63.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -79.27 -54.41 5.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.467 ' HB2' HD13 ' A' ' 17' ' ' LEU . 9.9 mtm -47.18 -47.72 23.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.544 ' HB1' ' O ' ' A' ' 12' ' ' MET . . . -67.73 -46.77 71.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -49.42 -45.49 46.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -68.82 -46.74 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.513 ' CE2' HD21 ' A' ' 17' ' ' LEU . 5.1 m-85 -57.39 -47.38 81.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.637 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.503 0.192 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -93.0 -172.0 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.563 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -69.83 -50.39 43.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CE1' ' SG ' ' A' ' 19' ' ' CYS . 7.7 t80 -57.63 -41.55 81.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 mt -59.53 -36.12 75.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.532 HD13 ' HB2' ' A' ' 60' ' ' MET . 12.0 mt -64.4 -52.28 59.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.809 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 4.8 t80 -54.95 -38.46 67.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.912 ' HA ' HD22 ' A' ' 42' ' ' LEU . 60.4 m -68.2 -38.96 82.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.276 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -19.26 63.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.56 -56.5 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.809 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 38.2 m80 -76.02 -10.99 59.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.593 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.545 ' CZ ' ' NH1' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -36.33 -69.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.76 -46.2 40.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.739 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -47.0 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.748 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.7 t -50.82 -59.18 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.545 ' NH1' ' CZ ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -41.17 -42.43 2.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 110.338 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -67.77 -63.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -54.98 -19.69 7.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.531 ' CG ' HD12 ' A' ' 41' ' ' ILE . 10.0 m-70 -141.42 81.41 15.41 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.587 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -49.75 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -45.7 -26.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.639 HD12 ' HA3' ' A' ' 37' ' ' GLY . 1.0 OUTLIER -64.52 146.15 55.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.14 -87.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -135.96 -64.24 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -52.86 -40.23 63.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.639 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -59.66 -56.11 26.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.46 -47.52 72.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 0.787 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.1 m -61.77 -18.76 61.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.52 -34.96 53.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.531 HD12 ' CG ' ' A' ' 30' ' ' HIS . 7.8 mt -77.7 -49.01 22.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.912 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.1 mt -46.5 -54.06 10.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' ASP . . . -40.44 -68.52 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 28.5 t0 -39.84 -60.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.739 ' HH2' HD12 ' A' ' 25' ' ' LEU . 24.5 m0 -42.28 -56.56 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.572 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 21.0 t-105 -55.71 -51.74 66.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 108.04 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 44' ' ' ASP . . . -44.21 -29.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' A' ' 45' ' ' TRP . 27.2 m -111.4 55.82 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.237 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.69 HD21 ' HB3' ' A' ' 53' ' ' GLU . 22.6 tp -120.6 154.49 35.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.439 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -82.3 174.75 5.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.4 Cg_endo -74.94 -51.23 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.444 1.76 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -39.66 -48.9 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.69 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -64.06 -48.58 75.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.572 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 8.0 mttt -56.75 -29.45 62.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.75 -62.46 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -46.51 -31.19 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.563 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 11.8 m-85 -80.81 -43.71 19.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 m -58.13 -28.36 64.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.381 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -76.31 -49.0 18.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.532 ' HB2' HD13 ' A' ' 17' ' ' LEU . 21.8 mtm -55.37 -45.97 76.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.637 ' HB1' ' O ' ' A' ' 12' ' ' MET . . . -66.44 -45.22 80.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -51.08 65.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.54 -40.37 95.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.461 ' CE2' HD21 ' A' ' 17' ' ' LEU . 1.9 m-85 -62.9 -41.41 99.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.4 tttt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.571 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 6.4 ptp . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.469 0.176 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -123.17 -170.05 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -74.92 -40.32 60.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -62.62 -51.22 68.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.403 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 16.1 mt -50.81 -34.15 26.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.499 HD13 ' HB2' ' A' ' 60' ' ' MET . 32.7 mt -67.79 -39.72 84.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.688 ' CD2' HD22 ' A' ' 49' ' ' LEU . 19.2 t80 -73.03 -30.33 63.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.907 ' HA ' HD22 ' A' ' 42' ' ' LEU . 1.8 p -76.56 -29.07 56.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 108.326 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.05 -24.0 43.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.01 -57.85 2.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.532 ' C ' HD21 ' A' ' 42' ' ' LEU . 25.4 m-70 -72.61 -10.91 60.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.579 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -35.81 -71.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.477 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -52.22 -46.1 65.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.779 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -45.7 -62.68 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.659 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.9 t -57.16 -63.17 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.09 -29.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 24' ' ' SER . 3.3 mm100 -82.5 -58.72 2.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.243 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -61.42 -13.57 21.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.504 ' CD2' HG21 ' A' ' 41' ' ' ILE . 17.5 m-70 -141.86 76.26 20.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.588 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -40.25 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -25.24 7.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.647 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -67.91 151.55 46.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -93.1 -66.51 0.92 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -162.78 -58.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -54.86 -31.6 59.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.291 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.647 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -74.55 -51.98 7.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.34 -40.46 59.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.2 m -64.45 -38.73 92.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -24.1 66.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.504 HG21 ' CD2' ' A' ' 30' ' ' HIS . 1.3 mm -80.89 -47.23 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.907 HD22 ' HA ' ' A' ' 19' ' ' CYS . 2.6 mt -57.22 -32.99 67.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -56.88 -68.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.44 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -43.86 -54.3 5.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.779 ' HH2' HD12 ' A' ' 25' ' ' LEU . 13.3 m0 -44.83 -41.55 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CH2' ' HG2' ' A' ' 54' ' ' LYS . 51.7 t-105 -75.38 -50.76 14.89 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.01 -24.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 48' ' ' VAL . 5.3 m -119.99 60.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.688 HD22 ' CD2' ' A' ' 18' ' ' PHE . 46.1 tp -126.85 139.96 52.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.4 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.7 OUTLIER -63.99 173.01 1.54 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -74.95 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.799 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -38.85 -52.64 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.555 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -61.39 -52.3 65.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.352 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.573 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 12.0 mttm -53.56 -42.73 67.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -51.67 -68.72 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -46.25 -45.4 17.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -58.81 -52.84 64.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.98 -32.77 61.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.371 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -69.23 -38.09 78.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.585 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 11.4 mtm -64.73 -37.0 86.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.58 -46.01 34.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -46.55 66.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -67.77 -43.85 78.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CD2' ' O ' ' A' ' 60' ' ' MET . 2.0 m-85 -62.45 -51.1 68.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.462 ' SD ' ' CG ' ' A' ' 64' ' ' TYR . 7.4 ptp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.49 0.186 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.41 ' ND2' HD12 ' A' ' 16' ' ' LEU . 6.9 p30 -148.74 -173.8 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -64.36 -64.2 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -46.3 -40.4 11.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.635 HD22 ' NZ ' ' A' ' 20' ' ' LYS . 2.8 mt -61.52 -38.64 88.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.544 HD21 ' CE2' ' A' ' 64' ' ' TYR . 14.3 mt -63.42 -42.06 98.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.652 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 32.8 t80 -66.45 -34.43 77.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.961 ' HA ' HD22 ' A' ' 42' ' ' LEU . 97.9 m -77.08 -29.05 54.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.635 ' NZ ' HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -76.43 -22.74 54.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.36 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -94.06 -56.72 2.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.652 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 54.4 m80 -70.48 -11.58 61.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.641 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -39.31 -71.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.244 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -47.66 -48.42 28.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.954 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.454 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.8 OUTLIER -42.94 -66.69 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.635 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.7 t -52.89 -61.43 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.78 -44.38 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.102 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -66.8 -62.65 1.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -54.53 -19.0 5.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.537 ' CE1' HD13 ' A' ' 41' ' ' ILE . 5.4 m80 -141.6 81.53 15.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.64 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -36.24 2.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -21.76 61.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.263 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -73.51 153.63 40.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.2 -75.73 0.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -146.44 -68.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.7 mmm-85 -46.67 -42.63 16.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.533 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -60.47 -54.41 37.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.634 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -60.27 -37.99 82.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 0.806 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.8 m -57.22 -41.48 79.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.398 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -34.73 78.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.537 HD13 ' CE1' ' A' ' 30' ' ' HIS . 5.7 mt -69.67 -43.95 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.961 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.1 mt -59.81 -40.96 90.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -46.89 -70.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.654 ' O ' HG22 ' A' ' 48' ' ' VAL . 21.3 t70 -42.81 -55.67 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.454 ' HH2' HD12 ' A' ' 25' ' ' LEU . 17.7 m0 -42.63 -44.5 4.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 108.037 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.571 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 56.7 t-105 -73.72 -48.18 33.89 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -52.35 -24.89 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 44' ' ' ASP . 28.4 m -115.09 55.91 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.881 HD23 ' HG3' ' A' ' 54' ' ' LYS . 22.1 tp -126.52 149.94 49.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.472 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -82.77 176.52 3.74 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.02 -53.49 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 51' ' ' PRO . 5.1 mtmt -39.84 -46.58 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.401 ' CG ' HD11 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -67.81 -50.93 54.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.881 ' HG3' HD23 ' A' ' 49' ' ' LEU . 9.4 mttm -55.19 -36.43 65.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 57' ' ' TYR . 2.8 tp60 -63.0 -65.83 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 57' ' ' TYR . 7.1 pttt -42.18 -29.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.41 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 7.5 m-85 -82.55 -51.38 7.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.492 ' HA ' ' HB2' ' A' ' 14' ' ' ALA . 1.7 m -52.11 -26.22 10.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -77.21 -48.98 16.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.551 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 14.6 mtm -52.92 -38.97 62.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.454 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -72.44 -45.67 58.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -48.96 -50.94 33.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.89 -45.28 90.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.551 ' CD2' ' O ' ' A' ' 60' ' ' MET . 3.3 m-85 -60.12 -47.76 84.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.593 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 7.5 ptp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.445 0.164 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.486 ' H ' HD12 ' A' ' 16' ' ' LEU . 16.0 t30 -74.13 -179.55 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.59 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -59.53 -43.89 93.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.525 ' HA ' ' CE3' ' A' ' 46' ' ' TRP . 3.7 t80 -66.9 -43.67 82.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.486 HD12 ' H ' ' A' ' 13' ' ' ASN . 28.2 mt -59.11 -27.15 65.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 14' ' ' ALA . 20.5 mt -71.78 -56.81 5.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.778 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 3.9 t80 -59.81 -27.27 66.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.911 ' SG ' HD13 ' A' ' 42' ' ' LEU . 17.4 t -77.97 -35.94 49.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 108.33 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.09 -17.69 60.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -90.34 -52.39 4.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.778 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 60.7 m80 -80.49 -11.26 59.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.59 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -37.73 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.42 -33.74 55.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.587 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -58.12 -67.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.582 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.4 t -48.76 -48.83 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.72 -48.91 40.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -61.78 -58.3 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -60.42 -14.64 20.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.526 ' CE1' HD13 ' A' ' 41' ' ' ILE . 44.5 m-70 -139.96 76.37 28.17 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.596 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.84 13.4 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.455 1.766 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.89 -18.09 64.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.593 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -79.92 156.33 27.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -96.95 -57.96 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -176.45 -47.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.5 mmm-85 -62.2 -24.52 67.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.535 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -84.51 -46.41 5.79 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.796 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -56.06 -18.96 11.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.3 m -83.04 -23.92 33.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.29 -16.61 45.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.526 HD13 ' CE1' ' A' ' 30' ' ' HIS . 11.2 mt -93.4 -27.98 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.368 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.911 HD13 ' SG ' ' A' ' 19' ' ' CYS . 3.0 mt -74.93 -38.6 61.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -50.51 -67.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.419 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -43.75 -55.1 4.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.587 ' HH2' HD12 ' A' ' 25' ' ' LEU . 13.3 m0 -43.47 -40.45 3.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 107.976 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 46.6 t-105 -77.72 -50.94 11.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.017 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -44.58 -27.95 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 48' ' ' VAL . 6.0 m -111.69 55.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.554 HD23 ' HG3' ' A' ' 54' ' ' LYS . 18.5 tp -125.39 127.62 46.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.438 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -61.79 175.18 0.56 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.343 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.4 Cg_endo -75.0 -49.64 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -39.91 -51.43 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -49.49 75.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.576 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 7.2 mttm -54.49 -42.49 70.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -47.7 -65.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 57' ' ' TYR . 5.0 pttt -46.75 -50.88 17.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 18' ' ' PHE . 16.9 m-85 -57.32 -46.64 83.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.1 m -52.94 -41.55 64.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -60.99 -50.22 74.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.5 mtp -54.63 -41.55 70.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.43 -55.98 6.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.94 -37.2 6.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.86 -51.51 11.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.593 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 1.4 m-85 -57.13 -41.49 79.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.048 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.2 tttt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.678 ' HA ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.55 0.214 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 4.1 p30 -100.38 -176.74 3.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.625 ' HB1' ' HH2' ' A' ' 46' ' ' TRP . . . -64.05 -44.74 91.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.32 -33.08 70.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.958 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 12' ' ' MET . 10.9 mt -67.76 -38.44 83.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.565 HD21 ' CE2' ' A' ' 64' ' ' TYR . 18.0 mt -62.6 -62.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.761 ' CZ ' ' CE1' ' A' ' 22' ' ' HIS . 9.5 t80 -53.02 -33.72 53.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.663 ' HA ' HD22 ' A' ' 42' ' ' LEU . 5.7 t -72.4 -36.08 68.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 108.317 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -75.44 -15.96 60.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -46.82 8.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 110.296 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.761 ' CE1' ' CZ ' ' A' ' 18' ' ' PHE . 50.6 m80 -89.1 -11.42 44.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.621 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.64 -66.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.448 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -54.38 -42.27 70.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.991 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.66 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -52.62 -67.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.719 HG21 ' HG ' ' A' ' 42' ' ' LEU . 3.2 t -50.67 -60.61 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -38.79 -44.69 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 24' ' ' SER . 3.3 mm100 -68.03 -65.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -50.11 -22.66 1.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.477 ' CE1' HD13 ' A' ' 41' ' ' ILE . 8.5 m-70 -134.26 81.41 50.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.612 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 33' ' ' LEU . 18.3 Cg_endo -75.01 -58.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.84 -30.95 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.733 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -58.73 148.05 30.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 36' ' ' ARG . 1.4 t70 -108.55 51.26 0.75 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 m120 68.9 -66.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' ASP . 1.2 ttm180 -39.32 -45.58 1.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.733 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -70.01 -44.53 60.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.566 ' HB1' HG12 ' A' ' 26' ' ' VAL . . . -56.83 -41.85 78.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.2 m -51.93 -44.06 63.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.445 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.6 mmtp -62.9 -47.89 81.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.477 HD13 ' CE1' ' A' ' 30' ' ' HIS . 8.5 mt -57.78 -43.8 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.719 ' HG ' HG21 ' A' ' 26' ' ' VAL . 2.0 mt -62.9 -37.93 88.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -55.33 -67.01 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.546 ' O ' HG22 ' A' ' 48' ' ' VAL . 62.6 t0 -42.31 -56.52 2.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.66 ' HH2' HD12 ' A' ' 25' ' ' LEU . 25.5 m0 -42.31 -43.69 3.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 107.973 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.625 ' HH2' ' HB1' ' A' ' 14' ' ' ALA . 37.8 t-105 -74.04 -52.42 12.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.38 -33.27 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 44' ' ' ASP . 33.6 m -105.09 53.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.643 HD13 ' CE2' ' A' ' 18' ' ' PHE . 14.4 tp -125.15 129.22 49.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.453 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -66.71 175.79 1.29 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.453 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.03 -47.36 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.541 1.811 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.44 -45.2 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.467 ' HG2' HD11 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -68.91 -51.83 35.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.611 ' HG3' HD23 ' A' ' 49' ' ' LEU . 4.2 mttm -50.66 -35.89 32.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -51.48 -67.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.519 ' HE3' ' CZ ' ' A' ' 57' ' ' TYR . 7.8 pttt -41.26 -50.12 3.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.519 ' CZ ' ' HE3' ' A' ' 56' ' ' LYS . 54.6 m-85 -61.73 -54.47 42.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.1 m -41.02 -39.56 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.351 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -67.64 -54.29 20.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.2 mtm -51.66 -51.44 55.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.453 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -63.14 -41.16 99.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -46.16 76.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -68.05 -42.36 80.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.565 ' CE2' HD21 ' A' ' 17' ' ' LEU . 3.7 m-85 -61.41 -46.77 88.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.55 ' SD ' ' CG ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.518 0.199 . . . . 0.0 110.985 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -94.85 -171.91 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.456 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -69.04 -58.94 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.532 ' HA ' ' CE3' ' A' ' 46' ' ' TRP . 3.7 t80 -51.17 -34.68 32.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 16' ' ' LEU . 7.5 mt -66.6 -39.01 88.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 60' ' ' MET . 20.1 mt -61.01 -44.96 96.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.759 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 6.4 t80 -73.25 -17.15 61.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 111.054 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.744 ' HA ' HD22 ' A' ' 42' ' ' LEU . 49.9 t -85.67 -29.76 23.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.334 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.8 -9.76 57.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -93.64 -56.29 2.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.759 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 25.8 m80 -80.93 -11.37 59.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.07 -65.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.448 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 1.1 m -50.77 -46.16 59.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.735 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -50.15 -71.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.713 HG21 ' HG ' ' A' ' 42' ' ' LEU . 3.8 t -46.88 -58.6 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.38 -50.73 5.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 24' ' ' SER . 8.6 mm-40 -62.77 -66.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' CD ' ' CD1' ' A' ' 25' ' ' LEU . 93.8 mt-10 -48.55 -24.27 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.507 ' HB3' HD23 ' A' ' 33' ' ' LEU . 19.4 m-70 -135.29 83.04 39.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.588 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -43.43 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.457 1.767 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -61.31 -39.73 91.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.507 HD23 ' HB3' ' A' ' 30' ' ' HIS . 2.3 mm? -42.73 154.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' GLY . 1.2 m-20 -103.64 161.1 14.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -41.18 -36.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.22 -42.57 30.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -61.28 -57.89 16.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.46 -45.48 18.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 109.259 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.6 m -55.85 -39.32 71.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.361 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.86 -15.44 62.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.406 HG22 HG22 ' A' ' 26' ' ' VAL . 4.0 mm -91.3 -35.08 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.744 HD22 ' HA ' ' A' ' 19' ' ' CYS . 1.0 OUTLIER -78.27 -37.48 44.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.07 -58.09 7.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.448 ' O ' HG22 ' A' ' 48' ' ' VAL . 27.3 t0 -54.67 -58.16 8.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.735 ' HH2' HD12 ' A' ' 25' ' ' LEU . 32.3 m0 -42.16 -37.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 53.2 t-105 -78.12 -50.93 11.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.95 -38.4 22.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 48' ' ' VAL . 16.5 m -105.24 56.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.538 HD23 ' HG3' ' A' ' 54' ' ' LYS . 32.9 tp -106.73 -108.44 0.31 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.416 ' OD1' ' C ' ' A' ' 49' ' ' LEU . 3.6 p-10 170.87 161.26 0.22 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 50' ' ' ASP . 18.4 Cg_endo -75.02 -28.93 8.72 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -64.36 -43.97 92.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -45.65 40.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.573 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 14.1 mttt -54.1 -29.13 43.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -55.11 -73.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.83 -42.87 3.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -64.05 -45.35 89.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 54' ' ' LYS . 1.6 m -57.97 -35.58 71.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -68.98 -49.71 55.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.54 ' HB2' HD13 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -50.88 -43.45 59.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.78 -47.38 66.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.1 -52.92 18.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.27 -45.09 94.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.55 ' CG ' ' SD ' ' A' ' 12' ' ' MET . 1.1 m-85 -58.41 -42.97 88.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.458 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 10.1 ptp . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.474 0.178 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -95.11 -177.6 4.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.496 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -61.45 -56.59 18.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -51.96 -38.47 56.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.66 -39.61 94.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.224 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.579 HD13 ' HB2' ' A' ' 60' ' ' MET . 18.8 mt -59.95 -49.52 77.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.796 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 5.0 t80 -60.72 -40.17 91.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.723 ' SG ' HD13 ' A' ' 42' ' ' LEU . 33.7 t -68.71 -27.86 66.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 108.307 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -20.15 45.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -92.95 -43.41 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.796 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 56.1 m80 -87.53 -11.6 48.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.604 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -38.78 -69.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.488 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -51.89 -44.96 63.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.748 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -45.95 -71.01 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.58 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.4 t -52.2 -61.4 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.79 -40.0 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 24' ' ' SER . 5.0 mm100 -71.63 -61.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -55.99 -17.91 7.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 26' ' ' VAL . 8.1 m-70 -140.17 79.8 21.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.611 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -48.5 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.437 1.756 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.06 -32.52 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.513 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -56.51 157.59 5.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' ARG . 5.2 t0 -118.45 51.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.3 t30 67.6 -67.77 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' ASP . 7.3 ttt180 -39.94 -36.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.513 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -81.52 -46.82 6.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.664 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -53.77 -20.75 6.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.4 m -75.81 -13.08 60.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.42 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -37.88 15.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 38' ' ' ALA . 1.6 mp -75.38 -33.28 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.723 HD13 ' SG ' ' A' ' 19' ' ' CYS . 2.9 mt -69.0 -40.0 78.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.74 -69.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.45 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 12.9 t0 -41.84 -54.35 3.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.748 ' HH2' HD12 ' A' ' 25' ' ' LEU . 20.3 m0 -41.04 -51.25 3.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.0 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.583 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 43.8 t-105 -66.32 -46.56 76.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 107.954 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -51.04 -24.65 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 48' ' ' VAL . 30.6 m -115.83 55.99 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.749 HD22 ' CD2' ' A' ' 18' ' ' PHE . 39.0 tp -122.4 152.29 40.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.435 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -83.06 174.43 6.04 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -74.95 -52.0 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -39.38 -44.97 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -49.27 61.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.245 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.583 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 6.3 mttm -56.1 -29.37 60.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -71.84 -59.02 2.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.4 pttt -53.47 -24.88 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.413 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 5.4 m-85 -83.04 -52.38 6.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 111.056 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.96 -37.11 30.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -66.17 -49.93 65.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.579 ' HB2' HD13 ' A' ' 17' ' ' LEU . 21.4 mtm -55.65 -32.69 63.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.406 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -80.06 -47.3 15.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -27.06 64.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.27 -45.33 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 60' ' ' MET . 2.6 m-85 -66.73 -40.99 88.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.424 ' HA ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.548 0.213 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 13' ' ' ASN . 0.5 OUTLIER -150.42 -174.75 4.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -62.48 -61.82 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.413 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 13.5 t80 -49.81 -33.01 15.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -69.2 -27.63 65.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.658 HD12 ' HA ' ' A' ' 14' ' ' ALA . 21.6 mt -73.54 -42.93 61.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.663 ' CE1' ' CE1' ' A' ' 22' ' ' HIS . 59.3 t80 -67.8 -26.73 66.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.937 ' HA ' HD22 ' A' ' 42' ' ' LEU . 33.0 m -78.54 -41.43 32.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.338 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -9.76 51.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 17' ' ' LEU . 1.1 mmp_? -100.53 -58.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.663 ' CE1' ' CE1' ' A' ' 18' ' ' PHE . 23.3 m80 -76.08 -11.01 59.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.593 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.77 -72.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -41.9 65.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.829 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -46.87 -52.94 13.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.685 ' CG1' ' HB1' ' A' ' 38' ' ' ALA . 1.1 t -62.6 -60.03 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.644 ' N ' HG12 ' A' ' 26' ' ' VAL . 8.6 mtm180 -38.77 -33.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -76.9 -59.79 2.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.43 -16.28 34.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.27 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' VAL . 22.2 m80 -145.63 79.8 11.07 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.625 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -41.98 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.75 -24.01 2.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.535 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -70.69 153.77 42.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -97.99 -69.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -155.68 -67.02 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.71 -32.65 8.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.534 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -72.76 -54.67 7.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.685 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -49.95 -40.55 44.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m -62.01 -42.52 99.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.429 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -25.21 59.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.573 ' HB ' HG21 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -80.85 -57.96 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.937 HD22 ' HA ' ' A' ' 19' ' ' CYS . 1.9 mt -44.0 -41.76 5.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -47.31 -69.57 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.449 ' O ' HG22 ' A' ' 48' ' ' VAL . 26.0 t0 -45.44 -50.12 12.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.829 ' HH2' HD12 ' A' ' 25' ' ' LEU . 20.1 m0 -48.75 -40.82 30.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.01 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.569 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 42.5 t-105 -73.85 -53.08 11.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 107.965 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.42 -27.9 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 48' ' ' VAL . 14.3 m -112.21 54.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.629 HD23 ' HG3' ' A' ' 54' ' ' LYS . 21.9 tp -119.3 151.49 38.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.464 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -84.52 176.58 3.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.1 Cg_endo -75.01 -52.01 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -39.96 -47.26 2.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.524 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -66.33 -46.79 75.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.629 ' HG3' HD23 ' A' ' 49' ' ' LEU . 13.6 mttt -59.61 -34.58 72.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -61.64 -64.31 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -45.57 -45.25 13.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.524 ' CD2' ' O ' ' A' ' 53' ' ' GLU . 16.4 m-85 -64.29 -49.93 69.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.82 -22.88 59.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.389 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -86.94 -43.08 12.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.564 ' HB2' HD13 ' A' ' 17' ' ' LEU . 19.5 mtm -59.39 -42.72 92.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.514 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -58.04 -48.93 78.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -40.99 64.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -75.54 -47.27 27.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.05 -37.58 33.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.942 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.541 ' SD ' ' CG ' ' A' ' 64' ' ' TYR . 6.8 ptp . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.492 0.187 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -91.8 -175.38 4.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.46 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -61.86 -64.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.598 ' CE1' ' SG ' ' A' ' 19' ' ' CYS . 7.3 t80 -47.85 -27.08 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 16' ' ' LEU . 1.4 mt -74.85 -36.54 62.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.605 HD21 ' CD2' ' A' ' 64' ' ' TYR . 23.5 mt -62.83 -56.52 16.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.804 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 7.8 t80 -57.01 -33.31 67.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.879 ' HA ' HD22 ' A' ' 42' ' ' LEU . 64.0 m -72.44 -37.77 68.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -11.0 60.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -98.4 -47.25 5.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.804 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 54.9 m80 -86.69 -11.48 51.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.642 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.69 -70.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.271 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.407 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -47.88 -50.01 27.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.018 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.538 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -41.5 -69.49 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.152 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' HIS . 2.8 t -52.54 -62.24 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.01 -34.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 24' ' ' SER . 6.1 mm100 -79.15 -62.62 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -54.32 -19.22 5.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' VAL . 10.1 m-70 -137.84 80.1 31.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.623 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.99 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.95 -30.19 9.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.603 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -61.9 151.55 34.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.36 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -94.8 -74.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -148.94 -71.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -45.21 -36.57 3.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.603 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -62.15 -58.97 10.31 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.409 ' HB1' HG12 ' A' ' 26' ' ' VAL . . . -56.27 -35.73 67.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.6 m -67.83 -30.18 69.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -15.81 58.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 mt -90.91 -32.45 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.879 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.1 mt -70.22 -43.4 70.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.16 -69.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' TRP . 0.7 OUTLIER -41.62 -59.25 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.538 ' HH2' HD12 ' A' ' 25' ' ' LEU . 18.9 m0 -42.31 -48.55 5.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 108.035 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 33.4 t-105 -65.71 -52.72 49.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 107.994 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -41.69 -35.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.7 m -99.41 49.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.574 HD13 ' CE2' ' A' ' 18' ' ' PHE . 18.0 tp -122.93 127.34 48.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.462 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -65.5 176.05 0.97 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.462 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.2 Cg_endo -74.96 -47.68 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.553 1.817 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.32 -48.17 2.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.404 ' HG2' HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -65.45 -46.98 77.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 3.5 mttm -56.61 -38.07 71.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -50.71 -64.34 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.461 ' CG ' ' N ' ' A' ' 57' ' ' TYR . 3.1 pttt -47.52 -49.6 25.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.461 ' N ' ' CG ' ' A' ' 56' ' ' LYS . 27.8 m-85 -58.87 -46.37 87.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 m -57.42 -34.01 68.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -76.53 -36.92 57.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.436 ' CB ' HD13 ' A' ' 17' ' ' LEU . 3.0 mtm -68.55 -32.56 72.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.462 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -78.34 -56.77 4.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.32 -23.15 5.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.19 -49.7 6.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.605 ' CD2' HD21 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -57.75 -50.36 73.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.521 0.2 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -86.09 -178.89 6.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.547 ' HB2' ' HA ' ' A' ' 58' ' ' THR . . . -64.03 -41.72 97.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -66.92 -43.1 84.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.07 -30.77 68.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.584 HD13 ' HB2' ' A' ' 60' ' ' MET . 19.4 mt -68.93 -45.01 71.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.784 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 49.8 t80 -63.37 -36.35 83.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.932 ' HA ' HD22 ' A' ' 42' ' ' LEU . 68.1 m -71.34 -37.04 71.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 108.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -9.81 58.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -100.16 -59.11 1.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.257 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.784 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 60.8 m80 -74.25 -10.78 59.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.633 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.36 -68.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 73.9 p -51.23 -49.65 60.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 110.007 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.432 ' HB3' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -42.43 -68.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.509 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.9 t -51.02 -63.34 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.66 -43.3 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.408 ' CG ' ' O ' ' A' ' 24' ' ' SER . 6.4 mm-40 -68.15 -62.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -54.09 -19.34 4.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.594 ' CE1' HD13 ' A' ' 41' ' ' ILE . 8.9 m80 -139.68 80.82 20.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.6 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -32.42 5.33 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -25.35 68.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -69.04 151.69 46.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.17 -83.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -141.41 -67.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -48.79 -32.83 9.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.413 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -70.71 -55.56 8.26 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.48 ' HB1' HG12 ' A' ' 26' ' ' VAL . . . -58.66 -34.89 71.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.0 m -62.6 -36.91 84.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -66.79 -32.32 73.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.594 HD13 ' CE1' ' A' ' 30' ' ' HIS . 8.4 mt -72.78 -44.35 59.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.932 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.6 mt -59.32 -37.54 78.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.61 -69.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.49 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 1.0 OUTLIER -44.6 -54.09 6.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.492 ' CE3' ' HB3' ' A' ' 22' ' ' HIS . 18.2 m0 -42.56 -44.92 4.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 108.006 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.579 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 48.8 t-105 -74.84 -51.37 14.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 108.006 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.49 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -48.27 -24.42 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 48' ' ' VAL . 4.8 m -116.16 57.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.564 HD23 ' HG3' ' A' ' 54' ' ' LYS . 34.3 tp -124.88 155.98 38.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.466 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -87.01 176.23 3.69 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -74.98 -52.44 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' PRO . 13.4 mttt -38.83 -47.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.558 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -67.34 -52.4 40.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.366 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.579 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 11.1 mttt -53.44 -31.45 45.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.13 -63.07 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -48.07 -28.11 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -82.2 -48.77 10.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.547 ' HA ' ' HB2' ' A' ' 14' ' ' ALA . 1.4 m -53.82 -28.77 37.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -75.51 -49.36 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.584 ' HB2' HD13 ' A' ' 17' ' ' LEU . 23.2 mtm -54.83 -35.1 63.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.3 -50.36 16.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -26.12 68.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -82.47 -40.79 20.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.55 ' CD2' ' O ' ' A' ' 60' ' ' MET . 2.4 m-85 -68.42 -42.26 79.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.495 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 7.1 ptp . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.477 0.179 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.592 ' H ' HD12 ' A' ' 16' ' ' LEU . 85.7 m-20 -81.94 -174.33 4.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -65.93 -54.09 30.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -58.41 -33.68 69.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.592 HD12 ' H ' ' A' ' 13' ' ' ASN . 23.2 mt -68.24 -28.46 67.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.531 HD13 ' HB2' ' A' ' 60' ' ' MET . 17.7 mt -72.12 -49.31 37.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.79 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 11.5 t80 -59.56 -38.6 81.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 1.019 ' HA ' HD22 ' A' ' 42' ' ' LEU . 58.1 m -68.5 -36.55 79.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.336 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -27.58 63.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -85.83 -58.64 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.79 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 50.6 m80 -69.72 -11.59 60.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.56 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -38.61 -70.2 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' LEU . 71.8 p -48.54 -50.44 32.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.492 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.7 OUTLIER -40.38 -70.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.604 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.6 t -46.92 -62.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.02 -36.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -76.69 -63.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -52.36 -20.73 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.547 ' CD2' HD12 ' A' ' 41' ' ' ILE . 24.5 m-70 -139.84 82.2 18.13 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.608 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -18.24 18.81 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -14.76 59.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.629 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -86.17 156.13 20.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.28 -78.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -144.9 -57.02 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -49.79 -42.55 47.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.629 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -76.9 -48.41 8.58 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.521 ' O ' HG11 ' A' ' 26' ' ' VAL . . . -52.3 -42.02 63.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.4 ' HA ' HD12 ' A' ' 42' ' ' LEU . 45.9 m -64.57 -49.14 72.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.54 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -47.2 -45.83 23.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.547 HD12 ' CD2' ' A' ' 30' ' ' HIS . 5.3 mt -62.35 -53.62 45.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.019 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.5 mt -45.83 -41.74 11.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 40' ' ' LYS . . . -47.83 -69.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.488 ' O ' HG22 ' A' ' 48' ' ' VAL . 33.9 t0 -43.54 -55.22 4.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.492 ' HH2' HD12 ' A' ' 25' ' ' LEU . 16.0 m0 -42.0 -51.37 4.47 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 36.6 t-105 -67.2 -44.38 79.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 107.984 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -51.75 -30.03 21.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 44' ' ' ASP . 34.5 m -109.38 54.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.897 HD23 ' HG3' ' A' ' 54' ' ' LYS . 17.5 tp -121.99 152.89 39.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.483 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -88.9 177.09 2.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.07 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -39.74 -44.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -50.38 39.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.897 ' HG3' HD23 ' A' ' 49' ' ' LEU . 12.2 mttt -55.76 -31.34 62.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -67.71 -61.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 57' ' ' TYR . 11.4 pttt -47.31 -30.23 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.415 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 9.1 m-85 -80.1 -49.23 12.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.7 m -54.62 -25.61 27.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -77.8 -43.99 28.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.531 ' HB2' HD13 ' A' ' 17' ' ' LEU . 10.4 mtm -58.45 -39.75 80.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.441 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -72.08 -55.06 8.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.07 -42.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -53.41 11.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.495 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 3.5 m-85 -54.08 -44.97 71.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.0 tttm . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.569 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 6.8 ptp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.496 0.188 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -78.19 -174.92 3.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.534 ' HB1' ' HH2' ' A' ' 46' ' ' TRP . . . -69.36 -21.76 63.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -84.76 -40.2 17.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.58 -13.79 61.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 60' ' ' MET . 35.4 mt -83.87 -52.58 6.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.695 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 11.2 t80 -69.67 -15.24 63.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.881 ' HA ' HD22 ' A' ' 42' ' ' LEU . 1.1 m -84.94 -36.48 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.291 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -16.2 55.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.24 -53.56 4.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.695 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 16.4 m-70 -79.6 -11.39 59.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.602 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.66 -66.32 0.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.251 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 1.6 p -53.12 -46.13 68.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.794 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -45.17 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.605 ' CG1' ' HB1' ' A' ' 38' ' ' ALA . 2.7 t -55.36 -62.59 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.07 -41.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 24' ' ' SER . 1.5 mm100 -70.85 -62.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -54.27 -19.27 5.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.445 ' CE1' HD13 ' A' ' 41' ' ' ILE . 9.0 m-70 -139.66 80.86 20.8 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -42.23 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.46 1.768 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -25.21 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.517 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -66.64 152.43 45.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.355 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 36' ' ' ARG . 1.2 m-20 -116.36 51.32 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 69.47 -65.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' ASP . 2.9 tmt_? -39.99 -38.99 0.78 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.517 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -81.27 -44.48 8.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.46 1.1 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.605 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -55.52 -42.11 74.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.4 m -58.55 -24.65 61.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.12 -21.58 39.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.445 HD13 ' CE1' ' A' ' 30' ' ' HIS . 11.4 mt -86.73 -35.27 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.881 HD22 ' HA ' ' A' ' 19' ' ' CYS . 1.8 mt -65.01 -44.84 87.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -44.09 -67.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.727 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -49.44 -45.96 47.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.794 ' HH2' HD12 ' A' ' 25' ' ' LEU . 7.3 m0 -54.47 -30.35 52.8 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 59.7 t-105 -85.55 -51.28 6.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 107.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.76 -44.91 58.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.727 HG13 ' O ' ' A' ' 44' ' ' ASP . 7.5 m -69.87 -38.29 75.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.631 HD13 ' CE2' ' A' ' 18' ' ' PHE . 13.9 tp -40.34 145.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.492 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -89.67 177.64 2.35 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.2 Cg_endo -75.02 -43.93 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.5 1.789 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -46.41 -39.64 10.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.451 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -74.62 -50.73 16.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.599 ' HG3' HD23 ' A' ' 49' ' ' LEU . 3.7 mttm -51.35 -22.34 2.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -53.23 -68.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 53' ' ' GLU . 6.0 ptpt -49.81 -40.65 42.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.403 ' HA ' ' HE2' ' A' ' 60' ' ' MET . 55.3 m-85 -69.0 -25.52 64.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 54' ' ' LYS . 1.2 m -77.93 -28.29 49.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -85.63 -42.94 13.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.558 ' HB2' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -53.53 -41.9 66.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.15 -43.02 54.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -35.03 62.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -80.87 -46.76 14.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.296 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.569 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 2.9 m-85 -61.48 -37.89 85.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.544 0.211 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.41 ' N ' ' HB2' ' A' ' 16' ' ' LEU . 6.3 t-20 -77.24 169.54 18.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.552 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -49.92 -43.55 49.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -65.6 -38.27 89.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 16' ' ' LEU . 14.4 mt -64.78 -20.99 66.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.571 HD13 ' HB2' ' A' ' 60' ' ' MET . 19.6 mt -80.7 -48.17 12.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.438 ' CE1' HD13 ' A' ' 49' ' ' LEU . 61.8 t80 -66.65 -17.46 64.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.981 ' HA ' HD22 ' A' ' 42' ' ' LEU . 1.8 m -85.22 -45.36 12.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 108.329 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -9.9 59.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -93.64 -55.57 3.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.478 ' O ' ' C ' ' A' ' 23' ' ' ARG . 18.8 m-70 -84.75 -10.26 57.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.606 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.518 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -32.67 -72.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.82 -43.61 63.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.999 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.749 HD12 ' CZ3' ' A' ' 45' ' ' TRP . 1.0 OUTLIER -46.55 -60.82 2.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.729 HG23 ' CZ3' ' A' ' 45' ' ' TRP . 1.2 t -52.13 -62.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.668 ' N ' HG12 ' A' ' 26' ' ' VAL . 3.4 mtm180 -38.64 -43.27 0.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -63.88 -55.89 19.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.455 ' OE1' ' CZ2' ' A' ' 45' ' ' TRP . 72.1 mt-10 -67.55 -8.91 37.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.484 ' CE1' HG21 ' A' ' 41' ' ' ILE . 26.9 m80 -150.12 76.02 8.76 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.585 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -32.14 5.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -14.52 25.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -77.64 155.37 31.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 36' ' ' ARG . 8.6 t0 -118.1 51.47 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 69.12 -66.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -39.97 -42.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.421 ' C ' HD12 ' A' ' 33' ' ' LEU . . . -79.03 -46.51 8.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.414 1.072 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.653 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -46.17 -44.69 16.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.2 m -52.85 -40.82 63.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.357 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -68.91 -19.86 64.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.484 HG21 ' CE1' ' A' ' 30' ' ' HIS . 2.4 mt -85.05 -40.11 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.981 HD22 ' HA ' ' A' ' 19' ' ' CYS . 1.0 OUTLIER -64.3 -44.33 91.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.66 -66.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 50.3 t0 -43.18 -59.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.749 ' CZ3' HD12 ' A' ' 25' ' ' LEU . 43.7 m0 -42.17 -50.15 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 108.051 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.626 ' CE3' HD22 ' A' ' 49' ' ' LEU . 35.5 t-105 -62.59 -51.58 66.75 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 44' ' ' ASP . . . -43.7 -31.92 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -108.77 55.43 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.639 HD23 ' HG3' ' A' ' 54' ' ' LYS . 22.9 tp -117.74 141.78 48.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.456 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -72.54 175.78 2.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.2 Cg_endo -75.02 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' PRO . 12.1 mttt -39.24 -51.38 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -46.93 88.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.639 ' HG3' HD23 ' A' ' 49' ' ' LEU . 14.3 mttt -59.81 -43.27 94.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -61.08 -42.43 98.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -61.31 -49.38 77.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.434 ' HH ' ' HD1' ' A' ' 18' ' ' PHE . 24.7 m-85 -62.31 -46.52 88.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 m -52.01 -20.78 2.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 110.381 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -84.33 -54.19 4.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.571 ' HB2' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -47.31 -40.56 17.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.425 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -69.91 -52.66 22.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.62 -37.95 13.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -51.14 18.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -59.37 -45.92 90.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 tttt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -116.59 80.53 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.739 . . . . 0.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -90.6 -58.41 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.27 58.59 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.76 140.83 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 110.08 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 p -94.93 108.4 20.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 110.056 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.26 151.87 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.82 -59.07 5.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 0.741 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.23 126.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.81 161.5 44.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -89.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.591 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 2.4 ptp -157.93 -172.62 3.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.443 ' HA ' ' HB1' ' A' ' 61' ' ' ALA . 36.2 m-80 -152.58 165.29 35.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.356 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.548 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -47.47 -35.81 9.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.434 ' HA ' ' CE3' ' A' ' 46' ' ' TRP . 11.4 t80 -81.84 -47.3 12.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mt -59.86 -17.92 40.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 14' ' ' ALA . 20.7 mt -79.3 -48.16 14.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.728 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 10.6 t80 -63.76 -25.12 68.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.949 ' HA ' HD22 ' A' ' 42' ' ' LEU . 10.2 t -78.18 -37.44 45.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 108.292 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.78 -12.14 60.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.561 HH21 ' HE1' ' A' ' 60' ' ' MET . 1.5 mtt180 -100.51 -43.69 6.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.728 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 47.1 m80 -89.13 -11.2 44.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.09 -63.17 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.462 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -54.93 -48.92 72.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.964 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.711 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -43.74 -62.48 1.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.682 HG21 ' HG ' ' A' ' 42' ' ' LEU . 4.4 t -56.98 -64.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.414 ' O ' ' CA ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -38.45 -38.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 24' ' ' SER . 8.7 mm-40 -70.15 -58.8 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.526 ' C ' ' CG ' ' A' ' 30' ' ' HIS . 17.2 mm-40 -62.44 -12.97 24.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.526 ' CG ' ' C ' ' A' ' 29' ' ' GLU . 1.8 m-70 -159.07 80.09 2.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.594 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.414 ' CA ' ' O ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -75.03 -44.6 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -36.16 60.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' A' ' 30' ' ' HIS . 1.5 mm? -43.69 165.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -112.25 166.04 11.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -46.75 -25.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' ' 34' ' ' ASP . 10.3 mmt85 -87.54 -39.23 15.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.468 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -69.65 -54.23 13.3 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -59.21 -30.34 68.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.3 m -77.9 -19.68 54.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.44 -24.94 36.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.6 mt -82.35 -41.16 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.949 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.8 mt -60.38 -43.3 96.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.99 -65.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.561 ' O ' HG22 ' A' ' 48' ' ' VAL . 6.3 t0 -48.98 -54.64 14.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.711 ' HH2' HD12 ' A' ' 25' ' ' LEU . 12.9 m0 -43.51 -40.84 4.11 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.562 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 34.9 t-105 -75.97 -52.41 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.8 -27.78 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 44' ' ' ASP . 24.1 m -109.77 51.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.251 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.688 HD23 ' HG3' ' A' ' 54' ' ' LYS . 21.6 tp -119.97 143.79 47.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.469 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -76.32 176.35 3.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.02 -53.1 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.502 1.791 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -39.35 -48.48 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -65.17 -50.1 67.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.688 ' HG3' HD23 ' A' ' 49' ' ' LEU . 11.9 mttm -56.32 -40.51 74.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -53.08 -67.47 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -46.3 -45.67 17.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.438 ' O ' ' CD1' ' A' ' 17' ' ' LEU . 7.1 m-85 -60.98 -49.98 75.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.513 ' HA ' ' HB2' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -54.3 -41.39 68.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.37 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.14 -46.98 88.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.561 ' HE1' HH21 ' A' ' 21' ' ' ARG . 1.4 mtp -56.19 -42.26 76.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.443 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -72.27 -48.2 44.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -19.1 61.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.52 -40.54 9.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.591 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 2.5 m-85 -70.27 -36.73 74.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -66.71 -59.88 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -41.16 -52.32 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.32 -55.31 9.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 9.1 t80 -59.67 -48.02 83.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -45.91 109.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -143.66 -68.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.17 66.58 4.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -134.77 99.84 12.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -44.71 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.17 78.28 1.67 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -128.77 175.06 8.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -131.26 145.71 52.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 t 179.86 98.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -83.3 157.87 35.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 95.55 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.54 -50.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.4 m -110.68 107.53 17.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.4 124.35 30.58 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.515 0.773 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -170.44 161.14 7.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.59 169.45 18.6 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.84 -58.76 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 0.801 . . . . 0.0 110.051 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -168.66 -59.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.0 -150.18 1.0 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.01 -65.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.42 96.44 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.96 163.15 17.93 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.07 13.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.034 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.497 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -84.78 129.71 34.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' H ' HD12 ' A' ' 16' ' ' LEU . 85.2 m-20 -82.94 -174.53 5.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -68.78 -46.95 67.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -63.95 -34.31 77.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.45 HD12 ' H ' ' A' ' 13' ' ' ASN . 19.0 mt -67.06 -33.55 75.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.533 HD21 ' CE2' ' A' ' 64' ' ' TYR . 16.8 mt -65.88 -59.62 3.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.781 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 5.7 t80 -53.46 -29.93 38.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.713 ' HA ' HD22 ' A' ' 42' ' ' LEU . 9.4 t -73.81 -44.16 56.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.292 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.8 -9.97 59.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -96.21 -54.05 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.781 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 53.8 m80 -81.98 -11.85 58.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.57 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.65 -67.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.412 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -51.21 -46.49 62.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.738 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -45.72 -68.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.542 HG21 ' HG ' ' A' ' 42' ' ' LEU . 3.1 t -52.89 -62.1 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -38.67 -38.47 0.41 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.412 ' CG ' ' O ' ' A' ' 24' ' ' SER . 2.8 mm100 -72.47 -62.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -55.33 -19.05 7.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.523 ' HB3' HD23 ' A' ' 33' ' ' LEU . 2.4 m80 -141.31 80.9 16.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.611 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.94 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.511 1.795 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -39.92 95.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.523 HD23 ' HB3' ' A' ' 30' ' ' HIS . 1.7 mm? -40.54 157.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 37' ' ' GLY . 21.3 t70 -105.31 162.35 13.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -41.56 -33.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -79.77 -44.21 21.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -62.26 -56.49 21.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.429 1.08 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.34 -51.33 55.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.2 m -58.31 -34.72 70.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -40.6 97.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.424 HD12 ' CG ' ' A' ' 30' ' ' HIS . 4.6 mt -68.51 -42.3 83.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.713 HD22 ' HA ' ' A' ' 19' ' ' CYS . 1.2 mt -60.84 -37.05 80.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.75 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.501 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 7.2 t70 -47.04 -51.32 17.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.738 ' HH2' HD12 ' A' ' 25' ' ' LEU . 23.5 m0 -43.1 -47.48 6.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 107.992 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 36.3 t-105 -71.67 -47.13 56.28 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -49.2 -26.14 2.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 48' ' ' VAL . 21.1 m -113.25 53.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.692 HD23 ' HG3' ' A' ' 54' ' ' LYS . 15.2 tp -123.4 145.6 48.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.426 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -79.56 174.01 6.8 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.2 Cg_endo -74.96 -44.41 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.511 1.795 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mttp -46.82 -48.31 20.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -64.68 -44.75 89.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.692 ' HG3' HD23 ' A' ' 49' ' ' LEU . 4.8 mttm -57.53 -32.45 67.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' THR . 5.3 tp60 -57.69 -70.91 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -39.81 -44.73 1.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -67.96 -43.4 79.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.044 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' GLN . 12.3 m -60.57 -24.82 65.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.69 -47.33 12.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.46 ' HB2' HD13 ' A' ' 17' ' ' LEU . 7.3 mtm -54.09 -41.92 68.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.497 ' HB1' ' O ' ' A' ' 12' ' ' MET . . . -68.94 -43.81 74.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.03 -48.51 79.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.23 -38.5 88.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.533 ' CE2' HD21 ' A' ' 17' ' ' LEU . 1.2 m-85 -65.92 -36.56 83.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -67.65 -66.69 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -41.98 -45.27 3.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.61 -56.45 21.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -53.48 -59.57 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.6 mmt -38.21 104.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.56 -63.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.21 71.04 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -133.85 104.38 11.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 175.58 11.04 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.7 -58.36 4.49 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.486 ' CD1' ' N ' ' A' ' 76' ' ' ARG . 4.3 t80 -51.35 155.04 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.486 ' N ' ' CD1' ' A' ' 75' ' ' TYR . 1.9 mpt_? -136.65 -69.45 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 95.4 p -175.77 82.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 62.4 -145.53 49.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 171.01 19.15 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -146.48 151.67 37.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.7 m -151.02 126.13 9.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -167.44 133.04 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 109.961 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.1 p -178.81 117.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.964 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.43 101.92 0.63 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.552 1.158 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.1 p -144.84 163.57 33.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 110.034 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 m -100.33 -58.59 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.85 -80.98 0.36 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.4 76.0 2.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 174.73 147.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 mtt85 64.74 163.26 0.12 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.453 ' HD3' ' CE2' ' A' ' 68' ' ' PHE . 18.3 Cg_endo -75.01 159.36 41.41 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.591 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 5.0 ptp -86.35 120.06 27.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -77.04 -174.01 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.644 ' HB1' ' HH2' ' A' ' 46' ' ' TRP . . . -67.79 -42.9 80.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.47 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 3.2 t80 -67.86 -37.67 82.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.55 -28.74 69.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.443 HD13 ' HB2' ' A' ' 60' ' ' MET . 18.4 mt -70.36 -57.95 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.745 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 10.5 t80 -51.74 -43.43 62.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.917 ' HA ' HD22 ' A' ' 42' ' ' LEU . 64.4 m -62.78 -38.97 92.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -71.83 -19.91 61.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -90.04 -59.51 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.745 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 39.2 m80 -72.8 -11.09 60.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.582 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -35.91 -66.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 3.9 m -54.6 -46.06 73.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.472 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -46.62 -70.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.649 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.6 t -49.21 -61.85 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.7 -46.09 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 24' ' ' SER . 5.0 mm100 -66.87 -66.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -48.85 -24.09 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.552 ' CE1' HD13 ' A' ' 41' ' ' ILE . 8.7 m-70 -134.39 82.42 46.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.616 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.779 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.88 -34.38 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.679 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.4 OUTLIER -58.05 149.14 24.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.06 -81.79 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -145.96 -57.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -37.72 67.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.679 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -63.3 -57.5 14.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.636 ' HB1' HG12 ' A' ' 26' ' ' VAL . . . -55.84 -41.05 73.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.6 m -56.49 -39.46 73.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -64.4 -38.67 91.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.552 HD13 ' CE1' ' A' ' 30' ' ' HIS . 4.7 mt -67.43 -46.99 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.917 HD22 ' HA ' ' A' ' 19' ' ' CYS . 1.6 mt -57.9 -32.55 67.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -58.09 -68.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.591 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 14.5 t70 -44.08 -46.75 8.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.502 ' CZ3' ' HB3' ' A' ' 22' ' ' HIS . 18.8 m0 -47.5 -44.17 25.29 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.644 ' HH2' ' HB1' ' A' ' 14' ' ' ALA . 44.9 t-105 -78.03 -46.73 20.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.033 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.591 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -51.76 -22.01 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 48' ' ' VAL . 5.3 m -120.63 57.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.741 HD23 ' HG3' ' A' ' 54' ' ' LYS . 13.6 tp -127.74 138.76 52.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -68.95 174.11 3.04 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.428 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.1 Cg_endo -75.06 -43.47 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.436 1.756 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -45.15 -54.82 6.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.488 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -57.98 -48.72 79.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.741 ' HG3' HD23 ' A' ' 49' ' ' LEU . 9.4 mttm -53.68 -38.32 64.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -52.57 -72.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -41.74 -43.99 3.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -62.51 -53.59 52.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -50.66 -39.78 51.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.421 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -62.44 -47.74 82.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.443 ' HB2' HD13 ' A' ' 17' ' ' LEU . 7.4 mtm -54.19 -42.24 69.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.11 -51.59 17.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -30.28 47.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.82 -47.42 11.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.591 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 2.5 m-85 -61.29 -45.92 92.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.44 -58.78 3.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -43.12 -43.34 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -65.69 -57.99 6.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.453 ' CE2' ' HD3' ' A' ' 11' ' ' PRO . 50.0 t80 -40.83 -51.18 3.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.426 ' HA ' ' OD1' ' A' ' 72' ' ' ASN . 4.5 mmt -70.14 81.7 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -107.28 -76.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.5 -60.02 3.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.426 ' OD1' ' HA ' ' A' ' 69' ' ' MET . 0.8 OUTLIER -45.01 104.91 0.41 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 77.97 3.0 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.69 78.74 0.3 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.469 1.105 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.418 ' CD2' ' N ' ' A' ' 76' ' ' ARG . 10.8 t80 -86.2 -59.45 2.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.762 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 76' ' ' ARG . 6.1 mmm180 62.37 145.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.24 -64.32 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.95 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.01 93.6 1.74 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -40.21 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.459 1.768 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 t -172.02 132.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.995 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.9 t -39.76 128.68 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.026 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.446 ' N ' ' HB2' ' A' ' 47' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -71.74 113.31 8.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 0.724 . . . . 0.0 110.016 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 t -132.82 -58.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.003 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.67 112.3 1.49 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.96 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -50.13 128.67 19.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 110.041 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 p -62.37 167.65 4.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.33 -126.65 4.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.17 160.75 35.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.3 85.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 179.52 165.62 0.75 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -167.78 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.595 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 12.4 ptp -127.15 120.06 27.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -77.6 179.38 6.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -57.23 -41.43 79.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -67.06 -46.65 73.69 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 16' ' ' LEU . 12.6 mt -55.22 -29.56 58.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.505 HD13 ' HB2' ' A' ' 60' ' ' MET . 17.5 mt -70.2 -54.17 13.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.628 ' HE2' HD13 ' A' ' 49' ' ' LEU . 9.5 t80 -54.25 -44.05 71.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.952 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.977 ' HA ' HD22 ' A' ' 42' ' ' LEU . 43.7 t -63.95 -36.01 82.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 108.232 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -30.9 67.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -82.22 -59.18 2.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.6 ' HB2' HD23 ' A' ' 42' ' ' LEU . 34.6 m-70 -70.77 -11.09 60.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.579 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.11 -68.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.432 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -54.54 -48.4 72.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.456 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -42.04 -70.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.795 HG12 ' HB1' ' A' ' 38' ' ' ALA . 2.2 t -50.52 -63.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.413 ' N ' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -38.23 -40.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 24' ' ' SER . 3.1 mm100 -71.65 -65.22 0.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -51.68 -23.16 4.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.539 ' CE1' HD13 ' A' ' 41' ' ' ILE . 6.0 m-70 -135.89 81.62 39.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.616 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -53.53 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.36 -31.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.652 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.6 OUTLIER -59.62 148.66 32.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' ARG . 49.9 m-20 -110.16 51.52 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 69.0 -65.94 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' ASP . 3.5 tpt180 -40.19 -44.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.652 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -76.53 -43.43 19.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.795 ' HB1' HG12 ' A' ' 26' ' ' VAL . . . -58.27 -44.92 88.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 0.802 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m -49.79 -45.36 49.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -57.31 -37.22 72.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.539 HD13 ' CE1' ' A' ' 30' ' ' HIS . 5.9 mt -66.89 -49.49 73.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.977 HD22 ' HA ' ' A' ' 19' ' ' CYS . 2.1 mt -53.9 -33.26 56.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 40' ' ' LYS . . . -59.32 -69.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.583 ' O ' HG22 ' A' ' 48' ' ' VAL . 7.4 t0 -45.42 -38.96 6.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.456 ' HH2' HD12 ' A' ' 25' ' ' LEU . 11.8 m0 -56.27 -45.44 80.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 107.983 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.571 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 47.6 t-105 -75.26 -47.1 29.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.479 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -48.95 -24.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 48' ' ' VAL . 4.5 m -119.85 60.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.628 HD13 ' HE2' ' A' ' 18' ' ' PHE . 27.5 tp -127.46 151.17 49.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.78 172.59 9.13 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.93 1.8 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -49.26 -48.09 46.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.604 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -65.76 -43.92 87.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.247 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 3.1 mttm -59.1 -22.77 61.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.342 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -61.46 -73.78 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.2 -35.62 12.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.433 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 4.3 m-85 -68.33 -50.06 56.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.6 -39.38 76.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.46 -53.36 29.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.505 ' HB2' HD13 ' A' ' 17' ' ' LEU . 22.0 mtm -46.54 -46.15 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.444 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -66.24 -53.21 39.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 109.245 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -39.7 -47.13 1.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.07 -54.14 20.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.595 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 7.9 m-85 -52.68 -45.13 66.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -61.75 -61.81 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -43.34 -52.71 5.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.88 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -45.72 -45.66 14.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.8 mmm -62.49 95.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.0 -61.98 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.9 63.35 6.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -161.92 95.84 1.26 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 73.87 4.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.443 1.759 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . 111.26 -91.61 0.62 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.512 ' CG ' ' N ' ' A' ' 76' ' ' ARG . 24.5 t80 54.35 -86.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 0.776 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.512 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 1.9 mpt_? 70.15 -68.83 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 75' ' ' TYR . 1.9 t 82.48 -57.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.138 . . . . 0.0 110.027 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.2 168.76 0.68 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -53.69 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.476 1.777 . . . . 0.0 111.038 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 55.14 83.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.6 t 41.09 88.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.12 131.84 11.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 109.956 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 m -141.39 119.17 11.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.039 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.94 -114.35 1.31 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 p -98.21 111.82 24.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 p -104.35 139.49 39.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.015 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.57 -171.75 22.8 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.92 173.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.2 165.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 65.65 164.92 0.12 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -173.7 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.414 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 11.8 ptp -121.27 141.03 51.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 6.0 p30 -98.02 179.66 4.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.494 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -61.01 -60.92 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -47.98 -25.6 1.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 16' ' ' LEU . 6.4 mt -76.64 -36.65 57.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.557 HD21 ' CD2' ' A' ' 64' ' ' TYR . 11.3 mt -64.65 -57.33 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.794 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 6.3 t80 -51.84 -35.91 46.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.888 ' HA ' HD22 ' A' ' 42' ' ' LEU . 80.4 m -69.82 -36.53 75.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 108.285 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -75.23 -10.32 59.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.253 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -99.26 -45.04 6.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.794 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 43.9 m80 -89.68 -11.33 42.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.61 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.47 -65.63 0.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 8.2 t -52.03 -48.73 64.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.629 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -45.75 -63.84 0.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.5 HG21 ' HG ' ' A' ' 42' ' ' LEU . 3.5 t -55.69 -61.61 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.31 -29.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 24' ' ' SER . 2.3 mm100 -83.82 -61.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -57.58 -16.63 10.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.569 ' CD2' HG21 ' A' ' 41' ' ' ILE . 21.5 m-70 -141.2 79.16 18.1 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 0.0 109.573 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -41.29 0.67 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.496 1.787 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -20.56 3.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -69.8 153.2 43.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 36' ' ' ARG . 7.3 m-20 -120.35 53.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.435 ' OD1' ' NH2' ' A' ' 23' ' ' ARG . 43.7 t30 69.03 -66.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' ASP . 2.3 mtt180 -39.26 -40.76 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.528 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -80.95 -47.59 6.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.87 -43.77 13.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.9 m -57.54 -42.13 82.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.445 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -20.94 65.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.569 HG21 ' CD2' ' A' ' 30' ' ' HIS . 1.6 mm -83.84 -36.44 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.888 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.3 mt -69.69 -41.42 75.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.11 -47.6 23.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -60.21 -61.43 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.629 ' HH2' HD12 ' A' ' 25' ' ' LEU . 29.0 m0 -42.3 -50.51 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 107.957 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.572 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 29.3 t-105 -62.14 -51.96 65.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.014 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.08 -33.02 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.4 m -104.36 51.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.728 HD23 ' HG3' ' A' ' 54' ' ' LYS . 20.6 tp -118.22 139.71 50.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.467 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -71.01 176.42 2.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.0 -54.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' PRO . 8.3 mttm -39.77 -52.21 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -49.17 78.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.728 ' HG3' HD23 ' A' ' 49' ' ' LEU . 16.9 mttt -56.62 -46.25 81.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.82 -37.57 88.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -59.44 -56.62 19.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -55.09 -42.34 72.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -52.72 -29.18 25.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.431 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -78.31 -32.07 49.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.574 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.1 mtm -75.36 -26.48 58.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.45 -58.3 2.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.21 -28.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -81.04 -43.22 19.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 60' ' ' MET . 2.6 m-85 -70.07 -38.97 75.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -66.75 -61.46 1.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -41.96 -47.09 4.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.15 -62.54 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -44.82 -52.15 8.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 11.8 mmm -54.34 104.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.09 -61.02 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -113.66 66.34 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -125.18 123.65 25.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 164.66 32.76 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.546 1.814 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 58.94 61.56 7.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -163.11 166.15 23.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.751 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 78' ' ' GLY . 0.0 OUTLIER 172.87 -33.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.2 t 67.45 -69.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.049 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 76' ' ' ARG . . . -41.76 101.25 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -172.88 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.783 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.82 141.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.7 p -154.0 90.73 1.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.8 p -88.21 128.22 35.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.42 117.55 25.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.59 61.55 0.44 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -112.54 132.56 55.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.743 . . . . 0.0 110.033 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.91 92.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.961 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.86 -135.84 4.04 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.453 1.095 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -156.79 101.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.551 ' O ' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER 173.57 -55.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -72.58 154.39 91.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 177.82 8.06 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.465 1.771 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.562 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 4.4 ptp -110.4 120.95 44.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -75.67 -178.26 4.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -63.4 -28.6 70.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -78.57 -43.92 25.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt -61.31 -15.41 35.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 14' ' ' ALA . 38.5 mt -81.14 -52.74 7.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 57' ' ' TYR . 6.5 t80 -59.6 -29.44 67.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.983 ' HA ' HD22 ' A' ' 42' ' ' LEU . 15.4 m -71.93 -44.57 63.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 108.304 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -9.72 58.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.79 -49.93 6.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.467 ' O ' ' C ' ' A' ' 23' ' ' ARG . 16.8 m80 -93.57 -10.05 36.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -33.64 -64.78 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.476 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -53.33 -45.28 69.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.502 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -47.78 -62.45 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 30' ' ' HIS . 3.3 t -58.48 -60.88 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -38.6 -33.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.252 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 24' ' ' SER . 0.9 OUTLIER -75.76 -58.27 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -63.67 -12.25 32.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 26' ' ' VAL . 9.6 m80 -143.19 74.99 17.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -34.24 3.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -30.89 65.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -62.12 152.42 32.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.23 -80.91 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 36' ' ' ARG . 3.9 p30 -151.55 -51.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.422 ' N ' ' OD1' ' A' ' 35' ' ' ASN . 3.5 ttp85 -64.15 -29.92 71.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.422 ' C ' HD12 ' A' ' 33' ' ' LEU . . . -70.12 -50.05 30.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.625 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -55.27 -19.19 7.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 0.787 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.9 m -84.73 -13.09 52.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.17 -33.46 38.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.25 -43.0 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.983 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.5 mt -58.41 -47.07 85.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.74 -58.14 3.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -58.25 -49.11 78.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.502 ' HH2' HD12 ' A' ' 25' ' ' LEU . 12.8 m0 -49.91 -33.61 17.88 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 46.2 t-105 -82.26 -50.14 9.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 108.033 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.2 -26.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 48' ' ' VAL . 11.3 m -114.14 55.82 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD23 ' HG3' ' A' ' 54' ' ' LYS . 25.7 tp -118.96 154.24 33.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.475 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -88.83 176.74 2.99 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -74.95 -50.47 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -40.77 -47.75 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.476 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -65.85 -49.86 66.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 14.5 mttt -56.54 -35.87 68.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -59.61 -64.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -47.62 -45.11 27.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.529 ' CZ ' ' HB2' ' A' ' 18' ' ' PHE . 14.0 m-85 -59.84 -45.63 91.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.1 m -58.22 -39.54 79.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -65.75 -46.98 76.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.454 ' HB2' HD13 ' A' ' 17' ' ' LEU . 4.1 mtp -61.13 -40.87 95.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.538 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -67.34 -52.71 36.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -27.96 51.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -81.91 -46.76 13.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.241 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.562 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 2.2 m-85 -64.74 -41.09 96.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -61.41 -58.91 6.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -41.14 -53.2 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.088 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.4 -62.87 1.31 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.551 ' CZ ' ' O ' ' A' ' 9' ' ' ARG . 4.4 t80 -47.95 -39.02 18.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.9 mmt -88.68 -174.03 4.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? 78.91 -55.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.41 -58.32 7.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -45.51 146.75 1.63 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 79.27 2.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 111.049 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 51.08 87.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.442 1.089 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -120.99 -72.22 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 111.004 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 63.82 142.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 p -114.22 -61.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -135.43 78.21 0.35 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.451 1.094 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 177.73 8.19 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.0 m 57.93 98.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.32 109.75 6.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -71.05 160.61 32.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 110.019 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.4 p -41.28 -58.59 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.02 105.08 0.31 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.21 101.82 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.8 t -178.64 158.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.471 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 84.27 162.98 35.21 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.094 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 70.11 -68.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.781 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.32 86.5 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -44.27 156.66 0.32 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.319 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 161.99 37.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.435 1.755 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.544 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -81.33 134.84 35.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -91.75 -173.84 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.607 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -64.33 -41.4 96.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -63.22 -51.13 67.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mt -50.31 -35.68 28.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.513 HD21 ' CE2' ' A' ' 64' ' ' TYR . 11.6 mt -64.73 -56.73 11.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.788 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 4.6 t80 -54.08 -36.7 63.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.773 ' SG ' HD13 ' A' ' 42' ' ' LEU . 48.6 t -68.58 -34.69 76.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 108.322 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -76.31 -9.8 58.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -95.57 -50.17 5.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.788 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 38.9 m80 -86.12 -11.33 52.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 0.0 109.566 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.83 -67.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 19.9 p -52.15 -41.95 62.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.987 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.603 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -50.34 -68.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.525 HG21 ' HG ' ' A' ' 42' ' ' LEU . 3.2 t -54.14 -60.11 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.0 -45.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 24' ' ' SER . 5.8 mm100 -65.19 -66.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -50.67 -25.41 4.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.527 ' HB3' HD23 ' A' ' 33' ' ' LEU . 2.4 m80 -134.92 82.43 43.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.573 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -38.95 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -40.52 87.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.527 HD23 ' HB3' ' A' ' 30' ' ' HIS . 2.0 mm? -40.62 156.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -106.22 161.12 14.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -41.43 -33.16 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.35 -44.58 21.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.238 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -62.45 -56.74 19.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.35 -48.43 55.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.2 m -53.3 -42.46 66.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -53.67 -49.81 67.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.474 ' CD1' ' CD2' ' A' ' 30' ' ' HIS . 4.9 mt -59.9 -48.1 89.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.773 HD13 ' SG ' ' A' ' 19' ' ' CYS . 2.1 mt -55.56 -45.0 77.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 40' ' ' LYS . . . -45.86 -60.77 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -50.37 -56.99 9.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.603 ' HH2' HD12 ' A' ' 25' ' ' LEU . 26.0 m0 -41.92 -40.67 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.798 ' CE3' HD22 ' A' ' 49' ' ' LEU . 51.8 t-105 -75.61 -50.88 14.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 108.033 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.43 -27.18 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 48' ' ' VAL . 11.4 m -113.47 54.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.832 HD23 ' HG3' ' A' ' 54' ' ' LYS . 19.8 tp -117.99 145.24 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.487 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -79.57 177.51 2.87 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.4 Cg_endo -74.94 -51.72 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.811 . . . . 0.0 111.047 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.39 -48.9 2.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.623 ' HG2' HD11 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -64.23 -51.53 63.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.832 ' HG3' HD23 ' A' ' 49' ' ' LEU . 10.4 mttm -54.09 -36.15 62.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -60.41 -69.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -41.44 -45.86 3.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.607 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 16.8 m-85 -65.06 -42.77 93.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -57.67 -28.47 63.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -79.27 -54.41 5.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.467 ' HB2' HD13 ' A' ' 17' ' ' LEU . 9.9 mtm -47.18 -47.72 23.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.544 ' HB1' ' O ' ' A' ' 12' ' ' MET . . . -67.73 -46.77 71.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -49.42 -45.49 46.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -68.82 -46.74 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.513 ' CE2' HD21 ' A' ' 17' ' ' LEU . 5.1 m-85 -57.39 -47.38 81.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -58.55 -62.31 1.95 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -41.95 -49.14 4.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.91 -59.73 4.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -52.04 -57.12 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 111.052 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.402 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 4.3 mmt -38.21 -51.65 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -42.72 -55.07 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 72' ' ' ASN . . . -47.87 -61.12 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 71' ' ' ALA . 1.2 m-80 -40.43 100.74 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 75.29 3.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 161.08 57.51 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.484 ' CE1' ' HB2' ' A' ' 77' ' ' SER . 11.3 t80 -173.11 149.54 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 0.755 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.6 mmm-85 -148.03 -48.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.484 ' HB2' ' CE1' ' A' ' 75' ' ' TYR . 0.3 OUTLIER 52.13 93.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.017 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.64 76.67 0.33 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 94.7 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.468 1.772 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 49.17 80.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.8 p -172.1 144.52 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.11 125.07 3.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.751 . . . . 0.0 109.972 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.85 -169.97 1.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.034 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.11 158.85 13.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m 65.17 93.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.62 -66.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.6 92.93 0.58 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.28 -70.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -112.75 -56.1 2.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -47.74 156.32 0.7 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 172.31 16.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.637 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -79.79 138.75 37.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -93.0 -172.0 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.563 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -69.83 -50.39 43.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CE1' ' SG ' ' A' ' 19' ' ' CYS . 7.7 t80 -57.63 -41.55 81.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 mt -59.53 -36.12 75.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.532 HD13 ' HB2' ' A' ' 60' ' ' MET . 12.0 mt -64.4 -52.28 59.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.809 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 4.8 t80 -54.95 -38.46 67.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.912 ' HA ' HD22 ' A' ' 42' ' ' LEU . 60.4 m -68.2 -38.96 82.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.276 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -19.26 63.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.56 -56.5 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.809 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 38.2 m80 -76.02 -10.99 59.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.593 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.545 ' CZ ' ' NH1' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -36.33 -69.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.76 -46.2 40.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.739 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -47.0 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.748 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.7 t -50.82 -59.18 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.545 ' NH1' ' CZ ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -41.17 -42.43 2.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 110.338 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -67.77 -63.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -54.98 -19.69 7.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.531 ' CG ' HD12 ' A' ' 41' ' ' ILE . 10.0 m-70 -141.42 81.41 15.41 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.587 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -49.75 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -45.7 -26.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.639 HD12 ' HA3' ' A' ' 37' ' ' GLY . 1.0 OUTLIER -64.52 146.15 55.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.14 -87.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -135.96 -64.24 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -52.86 -40.23 63.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.639 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -59.66 -56.11 26.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.46 -47.52 72.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 0.787 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.1 m -61.77 -18.76 61.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.52 -34.96 53.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.531 HD12 ' CG ' ' A' ' 30' ' ' HIS . 7.8 mt -77.7 -49.01 22.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.912 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.1 mt -46.5 -54.06 10.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' ASP . . . -40.44 -68.52 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 28.5 t0 -39.84 -60.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.739 ' HH2' HD12 ' A' ' 25' ' ' LEU . 24.5 m0 -42.28 -56.56 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.572 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 21.0 t-105 -55.71 -51.74 66.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 108.04 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 44' ' ' ASP . . . -44.21 -29.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' A' ' 45' ' ' TRP . 27.2 m -111.4 55.82 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.237 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.69 HD21 ' HB3' ' A' ' 53' ' ' GLU . 22.6 tp -120.6 154.49 35.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.439 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -82.3 174.75 5.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.4 Cg_endo -74.94 -51.23 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.444 1.76 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -39.66 -48.9 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.69 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -64.06 -48.58 75.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.572 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 8.0 mttt -56.75 -29.45 62.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.75 -62.46 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -46.51 -31.19 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.563 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 11.8 m-85 -80.81 -43.71 19.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 m -58.13 -28.36 64.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.381 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -76.31 -49.0 18.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.532 ' HB2' HD13 ' A' ' 17' ' ' LEU . 21.8 mtm -55.37 -45.97 76.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.637 ' HB1' ' O ' ' A' ' 12' ' ' MET . . . -66.44 -45.22 80.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -51.08 65.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.54 -40.37 95.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.461 ' CE2' HD21 ' A' ' 17' ' ' LEU . 1.9 m-85 -62.9 -41.41 99.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -62.2 -63.21 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.84 -53.7 7.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.18 -60.64 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -50.03 -54.61 19.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.2 mmm -46.01 101.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.65 -63.76 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -97.63 65.03 1.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -120.18 140.84 30.62 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -53.03 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.21 57.61 2.79 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.48 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 2.7 t80 -173.18 135.61 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 78' ' ' GLY . 25.4 mmt85 -139.24 85.65 2.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.1 t 64.44 -76.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 76' ' ' ARG . . . 152.89 171.31 20.15 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.43 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.486 1.782 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 p -103.34 167.67 9.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.045 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 49.29 92.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 t -69.22 -58.58 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.787 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 p -73.09 124.69 26.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.7 115.26 0.37 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.447 1.092 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 48.48 83.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.033 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.0 119.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.64 -127.1 9.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.32 75.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.76 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.07 -59.43 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.45 170.36 12.73 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -76.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.446 1.761 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.571 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 6.4 ptp -173.34 168.98 4.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -123.17 -170.05 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -74.92 -40.32 60.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -62.62 -51.22 68.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.403 ' HA ' ' SG ' ' A' ' 19' ' ' CYS . 16.1 mt -50.81 -34.15 26.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.499 HD13 ' HB2' ' A' ' 60' ' ' MET . 32.7 mt -67.79 -39.72 84.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.688 ' CD2' HD22 ' A' ' 49' ' ' LEU . 19.2 t80 -73.03 -30.33 63.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.907 ' HA ' HD22 ' A' ' 42' ' ' LEU . 1.8 p -76.56 -29.07 56.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 108.326 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.05 -24.0 43.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.01 -57.85 2.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.532 ' C ' HD21 ' A' ' 42' ' ' LEU . 25.4 m-70 -72.61 -10.91 60.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.579 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -35.81 -71.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.477 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -52.22 -46.1 65.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.779 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -45.7 -62.68 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.659 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.9 t -57.16 -63.17 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.09 -29.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 24' ' ' SER . 3.3 mm100 -82.5 -58.72 2.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.243 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -61.42 -13.57 21.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.504 ' CD2' HG21 ' A' ' 41' ' ' ILE . 17.5 m-70 -141.86 76.26 20.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.588 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -40.25 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -25.24 7.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.647 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -67.91 151.55 46.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -93.1 -66.51 0.92 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -162.78 -58.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -54.86 -31.6 59.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.291 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.647 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -74.55 -51.98 7.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.34 -40.46 59.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.2 m -64.45 -38.73 92.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -24.1 66.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.504 HG21 ' CD2' ' A' ' 30' ' ' HIS . 1.3 mm -80.89 -47.23 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.907 HD22 ' HA ' ' A' ' 19' ' ' CYS . 2.6 mt -57.22 -32.99 67.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -56.88 -68.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.44 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -43.86 -54.3 5.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.779 ' HH2' HD12 ' A' ' 25' ' ' LEU . 13.3 m0 -44.83 -41.55 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CH2' ' HG2' ' A' ' 54' ' ' LYS . 51.7 t-105 -75.38 -50.76 14.89 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.01 -24.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 48' ' ' VAL . 5.3 m -119.99 60.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.688 HD22 ' CD2' ' A' ' 18' ' ' PHE . 46.1 tp -126.85 139.96 52.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.7 OUTLIER -63.99 173.01 1.54 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -74.95 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.799 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -38.85 -52.64 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.555 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -61.39 -52.3 65.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.352 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.573 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 12.0 mttm -53.56 -42.73 67.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -51.67 -68.72 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -46.25 -45.4 17.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -58.81 -52.84 64.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.98 -32.77 61.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.371 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -69.23 -38.09 78.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.585 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 11.4 mtm -64.73 -37.0 86.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.58 -46.01 34.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -46.55 66.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -67.77 -43.85 78.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CD2' ' O ' ' A' ' 60' ' ' MET . 2.0 m-85 -62.45 -51.1 68.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.19 -63.33 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.54 -58.31 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.39 -63.52 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -44.19 -55.01 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.6 mmm -68.27 81.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -131.42 10.81 4.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.58 51.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.58 ' O ' ' CD1' ' A' ' 75' ' ' TYR . 5.7 m-80 -142.41 121.91 7.88 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 153.21 41.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.523 1.802 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 40.44 78.8 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 72' ' ' ASN . 4.6 p90 -132.99 -43.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.404 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 0.3 OUTLIER 62.75 91.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.3 p -89.33 138.51 31.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.95 114.85 0.61 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.73 5.28 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.529 1.805 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 90.3 p -110.28 169.08 8.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.3 t -132.36 159.13 40.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 3' ' ' SER . 28.4 p 51.27 92.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 0.0 109.984 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 2' ' ' SER . 1.6 p 164.51 -57.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.92 94.26 0.9 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.0 92.88 8.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.97 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.54 85.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.04 -77.62 0.11 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -173.56 83.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.98 45.11 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -177.51 156.03 1.15 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.299 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -61.58 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.462 ' SD ' ' CG ' ' A' ' 64' ' ' TYR . 7.4 ptp -177.86 -175.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.41 ' ND2' HD12 ' A' ' 16' ' ' LEU . 6.9 p30 -148.74 -173.8 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -64.36 -64.2 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -46.3 -40.4 11.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.635 HD22 ' NZ ' ' A' ' 20' ' ' LYS . 2.8 mt -61.52 -38.64 88.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.544 HD21 ' CE2' ' A' ' 64' ' ' TYR . 14.3 mt -63.42 -42.06 98.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.652 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 32.8 t80 -66.45 -34.43 77.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.961 ' HA ' HD22 ' A' ' 42' ' ' LEU . 97.9 m -77.08 -29.05 54.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.635 ' NZ ' HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -76.43 -22.74 54.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.36 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -94.06 -56.72 2.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.652 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 54.4 m80 -70.48 -11.58 61.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.641 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -39.31 -71.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.244 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -47.66 -48.42 28.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.954 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.454 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.8 OUTLIER -42.94 -66.69 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.635 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.7 t -52.89 -61.43 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.78 -44.38 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.102 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -66.8 -62.65 1.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -54.53 -19.0 5.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.537 ' CE1' HD13 ' A' ' 41' ' ' ILE . 5.4 m80 -141.6 81.53 15.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.64 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -36.24 2.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -21.76 61.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.263 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -73.51 153.63 40.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.2 -75.73 0.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -146.44 -68.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.7 mmm-85 -46.67 -42.63 16.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.533 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -60.47 -54.41 37.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.634 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -60.27 -37.99 82.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 0.806 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.8 m -57.22 -41.48 79.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.398 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -34.73 78.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.537 HD13 ' CE1' ' A' ' 30' ' ' HIS . 5.7 mt -69.67 -43.95 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.961 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.1 mt -59.81 -40.96 90.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -46.89 -70.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.654 ' O ' HG22 ' A' ' 48' ' ' VAL . 21.3 t70 -42.81 -55.67 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.454 ' HH2' HD12 ' A' ' 25' ' ' LEU . 17.7 m0 -42.63 -44.5 4.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 108.037 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.571 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 56.7 t-105 -73.72 -48.18 33.89 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -52.35 -24.89 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 44' ' ' ASP . 28.4 m -115.09 55.91 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.881 HD23 ' HG3' ' A' ' 54' ' ' LYS . 22.1 tp -126.52 149.94 49.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.472 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -82.77 176.52 3.74 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.02 -53.49 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 51' ' ' PRO . 5.1 mtmt -39.84 -46.58 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.401 ' CG ' HD11 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -67.81 -50.93 54.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.881 ' HG3' HD23 ' A' ' 49' ' ' LEU . 9.4 mttm -55.19 -36.43 65.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 57' ' ' TYR . 2.8 tp60 -63.0 -65.83 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 57' ' ' TYR . 7.1 pttt -42.18 -29.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.41 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 7.5 m-85 -82.55 -51.38 7.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.492 ' HA ' ' HB2' ' A' ' 14' ' ' ALA . 1.7 m -52.11 -26.22 10.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -77.21 -48.98 16.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.551 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 14.6 mtm -52.92 -38.97 62.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.454 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -72.44 -45.67 58.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -48.96 -50.94 33.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.89 -45.28 90.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.551 ' CD2' ' O ' ' A' ' 60' ' ' MET . 3.3 m-85 -60.12 -47.76 84.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -59.14 -63.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -40.53 -50.75 2.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -51.04 -61.35 2.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -53.25 -55.54 23.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.525 ' SD ' ' CD1' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -38.21 107.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.11 -61.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.18 67.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -136.4 125.16 15.38 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 163.5 35.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 59.59 54.56 36.69 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.525 ' CD1' ' SD ' ' A' ' 69' ' ' MET . 9.2 t80 -162.59 132.59 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.73 155.22 48.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.7 p -121.91 135.17 54.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.67 155.19 11.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.18 37.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.33 142.9 26.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.021 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 t -106.86 137.21 45.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.977 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.152 . . . . 0.0 110.974 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.06 106.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.017 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 t -105.78 12.34 30.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.15 92.28 1.09 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.88 130.32 11.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 0.803 . . . . 0.0 110.033 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p 178.08 167.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.43 -56.24 0.66 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.84 83.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.772 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.92 82.74 1.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.86 156.33 3.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 134.74 18.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.593 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 7.5 ptp -48.64 109.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.486 ' H ' HD12 ' A' ' 16' ' ' LEU . 16.0 t30 -74.13 -179.55 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.59 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -59.53 -43.89 93.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.525 ' HA ' ' CE3' ' A' ' 46' ' ' TRP . 3.7 t80 -66.9 -43.67 82.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.486 HD12 ' H ' ' A' ' 13' ' ' ASN . 28.2 mt -59.11 -27.15 65.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 14' ' ' ALA . 20.5 mt -71.78 -56.81 5.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.778 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 3.9 t80 -59.81 -27.27 66.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.911 ' SG ' HD13 ' A' ' 42' ' ' LEU . 17.4 t -77.97 -35.94 49.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 108.33 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.09 -17.69 60.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -90.34 -52.39 4.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.778 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 60.7 m80 -80.49 -11.26 59.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.59 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -37.73 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.42 -33.74 55.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.587 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -58.12 -67.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.582 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.4 t -48.76 -48.83 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.72 -48.91 40.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -61.78 -58.3 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -60.42 -14.64 20.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.526 ' CE1' HD13 ' A' ' 41' ' ' ILE . 44.5 m-70 -139.96 76.37 28.17 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.596 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.84 13.4 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.455 1.766 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.89 -18.09 64.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.593 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -79.92 156.33 27.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -96.95 -57.96 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -176.45 -47.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.5 mmm-85 -62.2 -24.52 67.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.535 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -84.51 -46.41 5.79 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.796 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -56.06 -18.96 11.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.3 m -83.04 -23.92 33.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.29 -16.61 45.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.526 HD13 ' CE1' ' A' ' 30' ' ' HIS . 11.2 mt -93.4 -27.98 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.368 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.911 HD13 ' SG ' ' A' ' 19' ' ' CYS . 3.0 mt -74.93 -38.6 61.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -50.51 -67.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -43.75 -55.1 4.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.587 ' HH2' HD12 ' A' ' 25' ' ' LEU . 13.3 m0 -43.47 -40.45 3.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 107.976 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 46.6 t-105 -77.72 -50.94 11.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.017 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -44.58 -27.95 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 48' ' ' VAL . 6.0 m -111.69 55.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.554 HD23 ' HG3' ' A' ' 54' ' ' LYS . 18.5 tp -125.39 127.62 46.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.438 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -61.79 175.18 0.56 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.343 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.4 Cg_endo -75.0 -49.64 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -39.91 -51.43 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -49.49 75.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.576 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 7.2 mttm -54.49 -42.49 70.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -47.7 -65.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 57' ' ' TYR . 5.0 pttt -46.75 -50.88 17.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 18' ' ' PHE . 16.9 m-85 -57.32 -46.64 83.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.1 m -52.94 -41.55 64.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -60.99 -50.22 74.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.5 mtp -54.63 -41.55 70.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.43 -55.98 6.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.94 -37.2 6.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.86 -51.51 11.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.593 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 1.4 m-85 -57.13 -41.49 79.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.048 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -62.57 -67.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -42.99 -47.06 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.72 -52.84 63.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -57.27 -52.82 63.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.41 ' HA ' ' OD1' ' A' ' 72' ' ' ASN . 0.6 OUTLIER -46.29 110.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.62 -52.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.47 60.56 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.41 ' OD1' ' HA ' ' A' ' 69' ' ' MET . 6.7 m120 -131.13 102.05 16.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 86.59 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 139.46 53.65 0.05 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -152.38 137.2 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 110.954 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.478 ' N ' ' CD1' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -125.57 158.16 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 110.242 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.2 t -107.92 148.77 29.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.23 -165.95 23.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 158.68 42.1 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.502 1.791 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.4 p -143.65 149.4 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.02 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.9 m 63.59 135.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.972 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 O-C-N 124.488 1.117 . . . . 0.0 111.039 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -140.13 149.49 43.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 109.959 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.71 128.19 52.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.2 108.46 1.03 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.39 141.84 4.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.763 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -76.74 145.05 38.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.87 146.44 12.4 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 62.68 171.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.19 114.89 14.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -162.71 169.71 8.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.471 ' CB ' ' HA ' ' A' ' 65' ' ' LYS . 18.2 Cg_endo -75.04 149.37 36.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.678 ' HA ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -50.31 142.03 10.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 4.1 p30 -100.38 -176.74 3.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.625 ' HB1' ' HH2' ' A' ' 46' ' ' TRP . . . -64.05 -44.74 91.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.32 -33.08 70.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.958 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 12' ' ' MET . 10.9 mt -67.76 -38.44 83.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.565 HD21 ' CE2' ' A' ' 64' ' ' TYR . 18.0 mt -62.6 -62.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.761 ' CZ ' ' CE1' ' A' ' 22' ' ' HIS . 9.5 t80 -53.02 -33.72 53.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.663 ' HA ' HD22 ' A' ' 42' ' ' LEU . 5.7 t -72.4 -36.08 68.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 108.317 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -75.44 -15.96 60.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -46.82 8.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 110.296 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.761 ' CE1' ' CZ ' ' A' ' 18' ' ' PHE . 50.6 m80 -89.1 -11.42 44.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.621 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.64 -66.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.448 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -54.38 -42.27 70.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.991 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.66 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -52.62 -67.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.719 HG21 ' HG ' ' A' ' 42' ' ' LEU . 3.2 t -50.67 -60.61 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -38.79 -44.69 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 24' ' ' SER . 3.3 mm100 -68.03 -65.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -50.11 -22.66 1.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.477 ' CE1' HD13 ' A' ' 41' ' ' ILE . 8.5 m-70 -134.26 81.41 50.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.612 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 33' ' ' LEU . 18.3 Cg_endo -75.01 -58.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.84 -30.95 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.733 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -58.73 148.05 30.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 36' ' ' ARG . 1.4 t70 -108.55 51.26 0.75 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 m120 68.9 -66.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' ASP . 1.2 ttm180 -39.32 -45.58 1.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.733 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -70.01 -44.53 60.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.566 ' HB1' HG12 ' A' ' 26' ' ' VAL . . . -56.83 -41.85 78.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.2 m -51.93 -44.06 63.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.445 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.6 mmtp -62.9 -47.89 81.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.477 HD13 ' CE1' ' A' ' 30' ' ' HIS . 8.5 mt -57.78 -43.8 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.719 ' HG ' HG21 ' A' ' 26' ' ' VAL . 2.0 mt -62.9 -37.93 88.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -55.33 -67.01 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.546 ' O ' HG22 ' A' ' 48' ' ' VAL . 62.6 t0 -42.31 -56.52 2.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.66 ' HH2' HD12 ' A' ' 25' ' ' LEU . 25.5 m0 -42.31 -43.69 3.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 107.973 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.625 ' HH2' ' HB1' ' A' ' 14' ' ' ALA . 37.8 t-105 -74.04 -52.42 12.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.38 -33.27 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 44' ' ' ASP . 33.6 m -105.09 53.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.643 HD13 ' CE2' ' A' ' 18' ' ' PHE . 14.4 tp -125.15 129.22 49.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.453 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -66.71 175.79 1.29 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.453 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.03 -47.36 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.541 1.811 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.44 -45.2 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.467 ' HG2' HD11 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -68.91 -51.83 35.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.611 ' HG3' HD23 ' A' ' 49' ' ' LEU . 4.2 mttm -50.66 -35.89 32.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -51.48 -67.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.519 ' HE3' ' CZ ' ' A' ' 57' ' ' TYR . 7.8 pttt -41.26 -50.12 3.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.519 ' CZ ' ' HE3' ' A' ' 56' ' ' LYS . 54.6 m-85 -61.73 -54.47 42.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.1 m -41.02 -39.56 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.351 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -67.64 -54.29 20.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.2 mtm -51.66 -51.44 55.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.453 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -63.14 -41.16 99.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -46.16 76.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -68.05 -42.36 80.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.565 ' CE2' HD21 ' A' ' 17' ' ' LEU . 3.7 m-85 -61.41 -46.77 88.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.471 ' HA ' ' CB ' ' A' ' 11' ' ' PRO . 9.5 ttpt -57.51 -62.6 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -46.77 -42.08 16.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.98 -58.98 6.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 69' ' ' MET . 32.8 t80 -51.4 -57.16 9.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' PHE . 6.5 mmt -37.82 105.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.88 -60.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.29 75.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -142.01 127.68 10.73 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -58.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -80.9 90.97 1.39 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -168.0 170.92 10.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -146.49 87.02 1.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.3 t -67.77 150.0 49.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.975 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -118.53 178.32 16.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -52.81 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.14 82.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.4 p -96.15 115.46 27.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.6 127.41 46.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -124.51 -58.56 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.22 129.68 47.96 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.434 1.084 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.97 -54.51 3.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 0.799 . . . . 0.0 110.029 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m 62.92 127.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.032 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.49 58.59 0.68 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.61 96.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.441 ' O ' ' CE1' ' A' ' 68' ' ' PHE . 1.9 mmt180 -127.21 -44.47 1.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.0 mtp85 -107.81 157.35 36.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 162.25 37.57 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.55 ' SD ' ' CG ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -85.07 136.91 33.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -94.85 -171.91 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.456 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -69.04 -58.94 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.532 ' HA ' ' CE3' ' A' ' 46' ' ' TRP . 3.7 t80 -51.17 -34.68 32.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 16' ' ' LEU . 7.5 mt -66.6 -39.01 88.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 60' ' ' MET . 20.1 mt -61.01 -44.96 96.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.759 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 6.4 t80 -73.25 -17.15 61.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 111.054 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.744 ' HA ' HD22 ' A' ' 42' ' ' LEU . 49.9 t -85.67 -29.76 23.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.334 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.8 -9.76 57.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -93.64 -56.29 2.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.759 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 25.8 m80 -80.93 -11.37 59.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.07 -65.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.448 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 1.1 m -50.77 -46.16 59.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.735 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -50.15 -71.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.713 HG21 ' HG ' ' A' ' 42' ' ' LEU . 3.8 t -46.88 -58.6 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.38 -50.73 5.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 24' ' ' SER . 8.6 mm-40 -62.77 -66.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' CD ' ' CD1' ' A' ' 25' ' ' LEU . 93.8 mt-10 -48.55 -24.27 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.507 ' HB3' HD23 ' A' ' 33' ' ' LEU . 19.4 m-70 -135.29 83.04 39.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.588 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -43.43 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.457 1.767 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -61.31 -39.73 91.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.507 HD23 ' HB3' ' A' ' 30' ' ' HIS . 2.3 mm? -42.73 154.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' GLY . 1.2 m-20 -103.64 161.1 14.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -41.18 -36.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.22 -42.57 30.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -61.28 -57.89 16.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.46 -45.48 18.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 109.259 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.6 m -55.85 -39.32 71.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.361 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.86 -15.44 62.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.406 HG22 HG22 ' A' ' 26' ' ' VAL . 4.0 mm -91.3 -35.08 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.744 HD22 ' HA ' ' A' ' 19' ' ' CYS . 1.0 OUTLIER -78.27 -37.48 44.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.07 -58.09 7.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.448 ' O ' HG22 ' A' ' 48' ' ' VAL . 27.3 t0 -54.67 -58.16 8.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.735 ' HH2' HD12 ' A' ' 25' ' ' LEU . 32.3 m0 -42.16 -37.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 53.2 t-105 -78.12 -50.93 11.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.95 -38.4 22.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 48' ' ' VAL . 16.5 m -105.24 56.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.538 HD23 ' HG3' ' A' ' 54' ' ' LYS . 32.9 tp -106.73 -108.44 0.31 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.416 ' OD1' ' C ' ' A' ' 49' ' ' LEU . 3.6 p-10 170.87 161.26 0.22 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 50' ' ' ASP . 18.4 Cg_endo -75.02 -28.93 8.72 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -64.36 -43.97 92.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -45.65 40.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.573 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 14.1 mttt -54.1 -29.13 43.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -55.11 -73.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.83 -42.87 3.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -64.05 -45.35 89.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 54' ' ' LYS . 1.6 m -57.97 -35.58 71.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -68.98 -49.71 55.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.54 ' HB2' HD13 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -50.88 -43.45 59.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.78 -47.38 66.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.1 -52.92 18.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.27 -45.09 94.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.55 ' CG ' ' SD ' ' A' ' 12' ' ' MET . 1.1 m-85 -58.41 -42.97 88.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -54.55 -57.11 12.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' LYS . 9.7 t70 -40.31 -51.43 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.62 -58.7 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.251 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.441 ' CE1' ' O ' ' A' ' 9' ' ' ARG . 86.4 t80 -49.62 -45.89 48.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.3 mmt -80.76 -173.86 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt 71.29 -60.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.53 -54.03 6.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -51.08 152.09 4.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -57.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.468 1.773 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -123.05 98.22 0.6 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -120.57 -45.09 2.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.759 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 65.13 117.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.06 -59.48 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.978 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.73 173.73 43.45 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.537 1.148 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.37 42.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.2 p -60.19 -58.33 8.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.93 137.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.974 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 70.78 -61.8 0.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 0.743 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.2 m -150.36 110.46 4.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.65 102.6 1.22 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 p -69.26 102.96 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 0.783 . . . . 0.0 110.033 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.28 137.88 17.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.89 148.88 20.89 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.59 -65.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 0.805 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.35 -50.99 5.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 10' ' ' ARG . 5.2 ptp180 -43.63 157.24 0.27 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.6 33.02 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.458 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 10.1 ptp -78.57 133.84 37.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -95.11 -177.6 4.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.496 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -61.45 -56.59 18.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -51.96 -38.47 56.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.66 -39.61 94.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.224 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.579 HD13 ' HB2' ' A' ' 60' ' ' MET . 18.8 mt -59.95 -49.52 77.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.796 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 5.0 t80 -60.72 -40.17 91.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.723 ' SG ' HD13 ' A' ' 42' ' ' LEU . 33.7 t -68.71 -27.86 66.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 108.307 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -20.15 45.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -92.95 -43.41 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.796 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 56.1 m80 -87.53 -11.6 48.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.604 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -38.78 -69.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.488 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -51.89 -44.96 63.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.748 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -45.95 -71.01 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.58 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.4 t -52.2 -61.4 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.79 -40.0 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 24' ' ' SER . 5.0 mm100 -71.63 -61.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -55.99 -17.91 7.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 26' ' ' VAL . 8.1 m-70 -140.17 79.8 21.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.611 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -48.5 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.437 1.756 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.06 -32.52 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.513 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -56.51 157.59 5.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' ARG . 5.2 t0 -118.45 51.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.3 t30 67.6 -67.77 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' ASP . 7.3 ttt180 -39.94 -36.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.513 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -81.52 -46.82 6.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.664 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -53.77 -20.75 6.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.4 m -75.81 -13.08 60.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.42 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -37.88 15.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 38' ' ' ALA . 1.6 mp -75.38 -33.28 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.723 HD13 ' SG ' ' A' ' 19' ' ' CYS . 2.9 mt -69.0 -40.0 78.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.74 -69.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.45 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 12.9 t0 -41.84 -54.35 3.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.748 ' HH2' HD12 ' A' ' 25' ' ' LEU . 20.3 m0 -41.04 -51.25 3.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.0 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.583 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 43.8 t-105 -66.32 -46.56 76.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 107.954 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -51.04 -24.65 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 48' ' ' VAL . 30.6 m -115.83 55.99 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.749 HD22 ' CD2' ' A' ' 18' ' ' PHE . 39.0 tp -122.4 152.29 40.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.435 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -83.06 174.43 6.04 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -74.95 -52.0 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -39.38 -44.97 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -49.27 61.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.245 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.583 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 6.3 mttm -56.1 -29.37 60.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -71.84 -59.02 2.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.4 pttt -53.47 -24.88 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.413 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 5.4 m-85 -83.04 -52.38 6.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 111.056 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.96 -37.11 30.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -66.17 -49.93 65.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.579 ' HB2' HD13 ' A' ' 17' ' ' LEU . 21.4 mtm -55.65 -32.69 63.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.406 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -80.06 -47.3 15.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -27.06 64.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.27 -45.33 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 60' ' ' MET . 2.6 m-85 -66.73 -40.99 88.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -64.28 -62.2 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -47.13 -49.94 21.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.81 -62.4 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -40.18 -51.88 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.411 ' HA ' ' OD1' ' A' ' 72' ' ' ASN . 19.1 mmt -50.3 97.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.85 -63.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.66 64.89 8.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.411 ' OD1' ' HA ' ' A' ' 69' ' ' MET . 11.9 m120 -133.34 117.64 14.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.48 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.792 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -85.95 -134.73 3.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.416 ' O ' ' O ' ' A' ' 74' ' ' GLY . 34.2 t80 55.49 111.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 0.784 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.43 88.39 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.7 t -40.93 116.06 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.951 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.11 157.22 11.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -178.16 3.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.43 148.16 43.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.033 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.7 t -137.86 156.42 47.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.62 121.26 9.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 0.738 . . . . 0.0 110.018 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m -141.44 84.38 1.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.64 -157.22 41.73 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.91 123.86 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 0.725 . . . . 0.0 110.05 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -160.32 129.32 4.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.04 98.29 0.26 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.87 174.15 6.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -68.24 94.42 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.461 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 9.2 ttt180 -165.53 139.59 3.84 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 10' ' ' ARG . 18.4 Cg_endo -74.96 -88.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.799 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.424 ' HA ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -125.81 -168.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 13' ' ' ASN . 0.5 OUTLIER -150.42 -174.75 4.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -62.48 -61.82 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.413 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 13.5 t80 -49.81 -33.01 15.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -69.2 -27.63 65.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.658 HD12 ' HA ' ' A' ' 14' ' ' ALA . 21.6 mt -73.54 -42.93 61.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.663 ' CE1' ' CE1' ' A' ' 22' ' ' HIS . 59.3 t80 -67.8 -26.73 66.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.937 ' HA ' HD22 ' A' ' 42' ' ' LEU . 33.0 m -78.54 -41.43 32.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.338 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -9.76 51.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 17' ' ' LEU . 1.1 mmp_? -100.53 -58.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.663 ' CE1' ' CE1' ' A' ' 18' ' ' PHE . 23.3 m80 -76.08 -11.01 59.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.593 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.77 -72.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -41.9 65.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.829 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -46.87 -52.94 13.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.685 ' CG1' ' HB1' ' A' ' 38' ' ' ALA . 1.1 t -62.6 -60.03 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.644 ' N ' HG12 ' A' ' 26' ' ' VAL . 8.6 mtm180 -38.77 -33.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -76.9 -59.79 2.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.43 -16.28 34.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.27 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' VAL . 22.2 m80 -145.63 79.8 11.07 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.625 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -41.98 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.75 -24.01 2.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.535 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -70.69 153.77 42.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -97.99 -69.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -155.68 -67.02 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.71 -32.65 8.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.534 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -72.76 -54.67 7.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.685 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -49.95 -40.55 44.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m -62.01 -42.52 99.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.429 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -25.21 59.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.573 ' HB ' HG21 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -80.85 -57.96 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.937 HD22 ' HA ' ' A' ' 19' ' ' CYS . 1.9 mt -44.0 -41.76 5.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -47.31 -69.57 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.449 ' O ' HG22 ' A' ' 48' ' ' VAL . 26.0 t0 -45.44 -50.12 12.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.829 ' HH2' HD12 ' A' ' 25' ' ' LEU . 20.1 m0 -48.75 -40.82 30.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.01 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.569 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 42.5 t-105 -73.85 -53.08 11.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 107.965 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.42 -27.9 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 48' ' ' VAL . 14.3 m -112.21 54.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.629 HD23 ' HG3' ' A' ' 54' ' ' LYS . 21.9 tp -119.3 151.49 38.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.464 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -84.52 176.58 3.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.1 Cg_endo -75.01 -52.01 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -39.96 -47.26 2.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.524 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -66.33 -46.79 75.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.629 ' HG3' HD23 ' A' ' 49' ' ' LEU . 13.6 mttt -59.61 -34.58 72.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -61.64 -64.31 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -45.57 -45.25 13.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.524 ' CD2' ' O ' ' A' ' 53' ' ' GLU . 16.4 m-85 -64.29 -49.93 69.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.82 -22.88 59.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.389 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -86.94 -43.08 12.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.564 ' HB2' HD13 ' A' ' 17' ' ' LEU . 19.5 mtm -59.39 -42.72 92.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.514 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -58.04 -48.93 78.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -40.99 64.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -75.54 -47.27 27.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.05 -37.58 33.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -63.79 -52.36 60.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -40.29 -36.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.95 -60.62 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.431 ' O ' ' N ' ' A' ' 70' ' ' LYS . 14.4 t80 -47.13 -62.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.511 ' SD ' ' CD2' ' A' ' 75' ' ' TYR . 1.6 mmt -40.84 95.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 68' ' ' PHE . 2.5 mmtp -97.14 -51.28 4.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -122.06 -77.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.5 m120 42.23 90.49 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.359 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -32.1 5.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.11 56.31 3.26 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.546 ' CE1' ' HB2' ' A' ' 77' ' ' SER . 10.9 t80 -145.59 -78.01 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.551 0.795 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.463 ' O ' ' CB ' ' A' ' 77' ' ' SER . 0.1 OUTLIER 65.0 -77.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.546 ' HB2' ' CE1' ' A' ' 75' ' ' TYR . 2.4 t 82.94 -67.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 109.968 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 135.87 87.08 0.23 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 149.76 36.84 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.18 86.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.0 p -130.49 120.99 24.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.51 148.59 24.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -164.6 127.23 2.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.08 -158.91 8.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 p -101.12 94.01 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 110.06 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 p -86.1 169.43 13.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.996 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.43 174.01 43.2 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.06 146.66 15.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.64 95.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.249 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.401 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -157.82 168.4 12.53 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 10' ' ' ARG . 18.4 Cg_endo -74.99 166.59 28.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.541 ' SD ' ' CG ' ' A' ' 64' ' ' TYR . 6.8 ptp -86.38 125.51 33.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -91.8 -175.38 4.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.46 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -61.86 -64.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.598 ' CE1' ' SG ' ' A' ' 19' ' ' CYS . 7.3 t80 -47.85 -27.08 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 16' ' ' LEU . 1.4 mt -74.85 -36.54 62.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.605 HD21 ' CD2' ' A' ' 64' ' ' TYR . 23.5 mt -62.83 -56.52 16.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.804 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 7.8 t80 -57.01 -33.31 67.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.879 ' HA ' HD22 ' A' ' 42' ' ' LEU . 64.0 m -72.44 -37.77 68.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -11.0 60.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -98.4 -47.25 5.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.804 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 54.9 m80 -86.69 -11.48 51.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.642 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.69 -70.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.271 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.407 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -47.88 -50.01 27.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.018 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.538 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -41.5 -69.49 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.152 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' HIS . 2.8 t -52.54 -62.24 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.01 -34.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 24' ' ' SER . 6.1 mm100 -79.15 -62.62 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -54.32 -19.22 5.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' VAL . 10.1 m-70 -137.84 80.1 31.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.623 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.99 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.95 -30.19 9.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.603 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -61.9 151.55 34.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.36 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -94.8 -74.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -148.94 -71.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -45.21 -36.57 3.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.603 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -62.15 -58.97 10.31 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.409 ' HB1' HG12 ' A' ' 26' ' ' VAL . . . -56.27 -35.73 67.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.6 m -67.83 -30.18 69.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -15.81 58.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 mt -90.91 -32.45 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.879 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.1 mt -70.22 -43.4 70.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.16 -69.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' TRP . 0.7 OUTLIER -41.62 -59.25 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.538 ' HH2' HD12 ' A' ' 25' ' ' LEU . 18.9 m0 -42.31 -48.55 5.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 108.035 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 33.4 t-105 -65.71 -52.72 49.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 107.994 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -41.69 -35.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.7 m -99.41 49.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.574 HD13 ' CE2' ' A' ' 18' ' ' PHE . 18.0 tp -122.93 127.34 48.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.462 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -65.5 176.05 0.97 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.462 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.2 Cg_endo -74.96 -47.68 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.553 1.817 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.32 -48.17 2.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.404 ' HG2' HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -65.45 -46.98 77.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 3.5 mttm -56.61 -38.07 71.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -50.71 -64.34 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.461 ' CG ' ' N ' ' A' ' 57' ' ' TYR . 3.1 pttt -47.52 -49.6 25.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.461 ' N ' ' CG ' ' A' ' 56' ' ' LYS . 27.8 m-85 -58.87 -46.37 87.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 m -57.42 -34.01 68.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -76.53 -36.92 57.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.436 ' CB ' HD13 ' A' ' 17' ' ' LEU . 3.0 mtm -68.55 -32.56 72.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.462 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -78.34 -56.77 4.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.32 -23.15 5.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.19 -49.7 6.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.605 ' CD2' HD21 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -57.75 -50.36 73.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.97 -63.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -40.79 -48.79 3.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.72 -48.22 77.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -56.82 -50.73 71.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.419 ' HA ' ' OD1' ' A' ' 72' ' ' ASN . 4.1 mmt -78.35 94.07 4.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -113.89 -61.85 1.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.26 73.89 5.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.419 ' OD1' ' HA ' ' A' ' 69' ' ' MET . 12.5 m120 -139.79 103.85 6.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 100.59 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.26 82.52 0.75 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.62 ' CG ' ' N ' ' A' ' 76' ' ' ARG . 5.3 p90 -119.05 -44.83 2.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.774 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.62 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -165.26 -45.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.8 t -50.67 120.04 4.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.95 157.1 53.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 97.63 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.2 m 62.41 159.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.9 t 45.8 94.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 p 54.51 170.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -120.88 78.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.96 137.86 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -147.75 -57.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.85 -61.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.007 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.525 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 46.03 -111.85 0.72 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 73.59 55.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 176.25 75.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.67 156.48 1.14 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 160.24 40.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 111.041 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.88 130.74 38.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -86.09 -178.89 6.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.547 ' HB2' ' HA ' ' A' ' 58' ' ' THR . . . -64.03 -41.72 97.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -66.92 -43.1 84.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.07 -30.77 68.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.584 HD13 ' HB2' ' A' ' 60' ' ' MET . 19.4 mt -68.93 -45.01 71.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.784 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 49.8 t80 -63.37 -36.35 83.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.932 ' HA ' HD22 ' A' ' 42' ' ' LEU . 68.1 m -71.34 -37.04 71.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 108.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -9.81 58.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -100.16 -59.11 1.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.257 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.784 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 60.8 m80 -74.25 -10.78 59.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.633 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.36 -68.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 73.9 p -51.23 -49.65 60.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 110.007 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' HB3' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -42.43 -68.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.509 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.9 t -51.02 -63.34 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.66 -43.3 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.408 ' CG ' ' O ' ' A' ' 24' ' ' SER . 6.4 mm-40 -68.15 -62.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -54.09 -19.34 4.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.594 ' CE1' HD13 ' A' ' 41' ' ' ILE . 8.9 m80 -139.68 80.82 20.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.6 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -32.42 5.33 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -25.35 68.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -69.04 151.69 46.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.17 -83.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -141.41 -67.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -48.79 -32.83 9.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.413 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -70.71 -55.56 8.26 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.48 ' HB1' HG12 ' A' ' 26' ' ' VAL . . . -58.66 -34.89 71.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.0 m -62.6 -36.91 84.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -66.79 -32.32 73.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.594 HD13 ' CE1' ' A' ' 30' ' ' HIS . 8.4 mt -72.78 -44.35 59.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.932 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.6 mt -59.32 -37.54 78.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.61 -69.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.49 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 1.0 OUTLIER -44.6 -54.09 6.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.492 ' CE3' ' HB3' ' A' ' 22' ' ' HIS . 18.2 m0 -42.56 -44.92 4.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 108.006 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.579 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 48.8 t-105 -74.84 -51.37 14.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 108.006 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.49 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -48.27 -24.42 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 48' ' ' VAL . 4.8 m -116.16 57.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.564 HD23 ' HG3' ' A' ' 54' ' ' LYS . 34.3 tp -124.88 155.98 38.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.466 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -87.01 176.23 3.69 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -74.98 -52.44 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' PRO . 13.4 mttt -38.83 -47.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.558 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -67.34 -52.4 40.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.366 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.579 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 11.1 mttt -53.44 -31.45 45.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.13 -63.07 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -48.07 -28.11 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -82.2 -48.77 10.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.547 ' HA ' ' HB2' ' A' ' 14' ' ' ALA . 1.4 m -53.82 -28.77 37.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -75.51 -49.36 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.584 ' HB2' HD13 ' A' ' 17' ' ' LEU . 23.2 mtm -54.83 -35.1 63.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.3 -50.36 16.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -26.12 68.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -82.47 -40.79 20.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.55 ' CD2' ' O ' ' A' ' 60' ' ' MET . 2.4 m-85 -68.42 -42.26 79.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -49.36 -57.0 7.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -44.21 -49.3 9.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.39 -50.07 74.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -58.3 -40.0 80.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.56 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 4.2 mmt -88.88 -174.0 4.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 69' ' ' MET . 10.5 tptp 90.25 -38.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.04 47.37 1.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -160.73 143.39 9.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -172.9 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 39.96 56.73 2.61 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 69' ' ' MET . 14.8 t80 -165.0 159.6 18.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 0.732 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.401 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -144.25 -54.74 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.275 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.4 t 172.64 -57.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.97 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 144.29 -131.96 4.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.96 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 153.17 41.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.78 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.95 170.05 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.024 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.92 155.37 18.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.9 OUTLIER 81.14 162.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 110.003 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.3 m -98.26 175.48 6.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.88 -122.96 4.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.559 1.162 . . . . 0.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 t -159.05 108.51 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 110.021 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.45 168.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.994 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.52 -80.75 1.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 58.95 102.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.76 89.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.488 ' CD ' ' HD2' ' A' ' 11' ' ' PRO . 20.7 tpp180 -169.94 136.44 1.33 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.488 ' HD2' ' CD ' ' A' ' 10' ' ' ARG . 18.4 Cg_endo -74.99 -167.49 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.525 1.802 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.495 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 7.1 ptp -134.06 127.71 32.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.592 ' H ' HD12 ' A' ' 16' ' ' LEU . 85.7 m-20 -81.94 -174.33 4.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -65.93 -54.09 30.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -58.41 -33.68 69.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.592 HD12 ' H ' ' A' ' 13' ' ' ASN . 23.2 mt -68.24 -28.46 67.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.531 HD13 ' HB2' ' A' ' 60' ' ' MET . 17.7 mt -72.12 -49.31 37.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.79 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 11.5 t80 -59.56 -38.6 81.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 1.019 ' HA ' HD22 ' A' ' 42' ' ' LEU . 58.1 m -68.5 -36.55 79.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.336 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -27.58 63.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -85.83 -58.64 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.79 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 50.6 m80 -69.72 -11.59 60.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.56 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -38.61 -70.2 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' LEU . 71.8 p -48.54 -50.44 32.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.492 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.7 OUTLIER -40.38 -70.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.604 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.6 t -46.92 -62.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.02 -36.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -76.69 -63.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -52.36 -20.73 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.547 ' CD2' HD12 ' A' ' 41' ' ' ILE . 24.5 m-70 -139.84 82.2 18.13 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.608 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -18.24 18.81 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -14.76 59.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.629 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -86.17 156.13 20.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.28 -78.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -144.9 -57.02 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -49.79 -42.55 47.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.629 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -76.9 -48.41 8.58 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.521 ' O ' HG11 ' A' ' 26' ' ' VAL . . . -52.3 -42.02 63.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.4 ' HA ' HD12 ' A' ' 42' ' ' LEU . 45.9 m -64.57 -49.14 72.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.54 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -47.2 -45.83 23.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.547 HD12 ' CD2' ' A' ' 30' ' ' HIS . 5.3 mt -62.35 -53.62 45.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.019 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.5 mt -45.83 -41.74 11.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 40' ' ' LYS . . . -47.83 -69.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.488 ' O ' HG22 ' A' ' 48' ' ' VAL . 33.9 t0 -43.54 -55.22 4.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.492 ' HH2' HD12 ' A' ' 25' ' ' LEU . 16.0 m0 -42.0 -51.37 4.47 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 36.6 t-105 -67.2 -44.38 79.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 107.984 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -51.75 -30.03 21.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 44' ' ' ASP . 34.5 m -109.38 54.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.897 HD23 ' HG3' ' A' ' 54' ' ' LYS . 17.5 tp -121.99 152.89 39.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.483 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -88.9 177.09 2.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.07 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -39.74 -44.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -50.38 39.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.897 ' HG3' HD23 ' A' ' 49' ' ' LEU . 12.2 mttt -55.76 -31.34 62.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -67.71 -61.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 57' ' ' TYR . 11.4 pttt -47.31 -30.23 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.415 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 9.1 m-85 -80.1 -49.23 12.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.7 m -54.62 -25.61 27.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -77.8 -43.99 28.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.531 ' HB2' HD13 ' A' ' 17' ' ' LEU . 10.4 mtm -58.45 -39.75 80.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.441 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -72.08 -55.06 8.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.07 -42.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -53.41 11.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.495 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 3.5 m-85 -54.08 -44.97 71.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -62.28 -63.98 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -40.55 -48.73 2.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.41 -57.78 9.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 70' ' ' LYS . 29.5 t80 -49.57 -52.58 29.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.4 mmt -58.18 85.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -105.08 -62.35 1.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.75 -76.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.0 m120 42.9 84.15 0.19 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 80.01 2.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.516 1.798 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.61 57.25 1.19 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.4 ' CE2' ' O ' ' A' ' 77' ' ' SER . 53.5 t80 -58.98 -63.84 1.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 0.757 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 43.15 90.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.4 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -178.47 82.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.997 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.88 97.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -42.37 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.465 1.771 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 82' ' ' GLY . 46.4 t -149.88 125.73 10.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.1 t 66.88 -71.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 80' ' ' SER . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -98.3 104.25 16.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 0.767 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.43 -59.88 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.83 -74.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.17 101.56 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.75 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.65 149.14 24.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.011 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.2 -60.22 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.65 146.73 42.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 0.78 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.33 -65.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.255 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -74.45 157.4 86.36 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -168.59 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.569 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 6.8 ptp -134.83 129.46 34.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -78.19 -174.92 3.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.534 ' HB1' ' HH2' ' A' ' 46' ' ' TRP . . . -69.36 -21.76 63.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -84.76 -40.2 17.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.58 -13.79 61.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 60' ' ' MET . 35.4 mt -83.87 -52.58 6.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.695 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 11.2 t80 -69.67 -15.24 63.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.881 ' HA ' HD22 ' A' ' 42' ' ' LEU . 1.1 m -84.94 -36.48 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.291 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -16.2 55.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.24 -53.56 4.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.695 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 16.4 m-70 -79.6 -11.39 59.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.602 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.66 -66.32 0.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.251 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 1.6 p -53.12 -46.13 68.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.794 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -45.17 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.605 ' CG1' ' HB1' ' A' ' 38' ' ' ALA . 2.7 t -55.36 -62.59 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.07 -41.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 24' ' ' SER . 1.5 mm100 -70.85 -62.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -54.27 -19.27 5.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.445 ' CE1' HD13 ' A' ' 41' ' ' ILE . 9.0 m-70 -139.66 80.86 20.8 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -42.23 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.46 1.768 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -25.21 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.517 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -66.64 152.43 45.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.355 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 36' ' ' ARG . 1.2 m-20 -116.36 51.32 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 69.47 -65.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' ASP . 2.9 tmt_? -39.99 -38.99 0.78 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.517 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -81.27 -44.48 8.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.46 1.1 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.605 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -55.52 -42.11 74.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.4 m -58.55 -24.65 61.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.12 -21.58 39.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.445 HD13 ' CE1' ' A' ' 30' ' ' HIS . 11.4 mt -86.73 -35.27 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.881 HD22 ' HA ' ' A' ' 19' ' ' CYS . 1.8 mt -65.01 -44.84 87.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -44.09 -67.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.727 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -49.44 -45.96 47.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.794 ' HH2' HD12 ' A' ' 25' ' ' LEU . 7.3 m0 -54.47 -30.35 52.8 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 59.7 t-105 -85.55 -51.28 6.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 107.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.76 -44.91 58.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.727 HG13 ' O ' ' A' ' 44' ' ' ASP . 7.5 m -69.87 -38.29 75.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.631 HD13 ' CE2' ' A' ' 18' ' ' PHE . 13.9 tp -40.34 145.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.492 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -89.67 177.64 2.35 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.2 Cg_endo -75.02 -43.93 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.5 1.789 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -46.41 -39.64 10.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.451 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -74.62 -50.73 16.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.599 ' HG3' HD23 ' A' ' 49' ' ' LEU . 3.7 mttm -51.35 -22.34 2.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -53.23 -68.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 53' ' ' GLU . 6.0 ptpt -49.81 -40.65 42.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.403 ' HA ' ' HE2' ' A' ' 60' ' ' MET . 55.3 m-85 -69.0 -25.52 64.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 54' ' ' LYS . 1.2 m -77.93 -28.29 49.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -85.63 -42.94 13.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.558 ' HB2' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -53.53 -41.9 66.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.15 -43.02 54.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -35.03 62.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -80.87 -46.76 14.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.296 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.569 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 2.9 m-85 -61.48 -37.89 85.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -68.73 -57.78 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -46.57 -35.32 5.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.96 -56.82 9.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -45.67 -39.79 8.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 mmt -67.51 87.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -151.74 33.9 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -169.19 -50.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -43.12 116.24 2.0 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -43.39 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 111.042 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.47 -58.2 1.74 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.557 ' CE1' ' O ' ' A' ' 76' ' ' ARG . 10.3 t80 -60.84 155.92 18.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.557 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -130.54 156.65 44.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.261 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 t -119.92 134.33 55.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -135.59 -173.8 13.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 84.05 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.788 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.6 p -149.44 94.12 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.93 -58.13 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 56.31 107.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.779 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -44.15 152.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.984 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.25 120.74 0.91 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 m -68.08 143.75 55.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.38 169.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.96 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.14 178.13 40.86 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.14 -179.05 5.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.67 125.31 20.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 ptt-85 -158.88 156.45 26.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 152.38 40.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.68 119.46 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.41 ' N ' ' HB2' ' A' ' 16' ' ' LEU . 6.3 t-20 -77.24 169.54 18.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.552 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -49.92 -43.55 49.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -65.6 -38.27 89.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 16' ' ' LEU . 14.4 mt -64.78 -20.99 66.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.571 HD13 ' HB2' ' A' ' 60' ' ' MET . 19.6 mt -80.7 -48.17 12.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.438 ' CE1' HD13 ' A' ' 49' ' ' LEU . 61.8 t80 -66.65 -17.46 64.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.981 ' HA ' HD22 ' A' ' 42' ' ' LEU . 1.8 m -85.22 -45.36 12.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 108.329 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -9.9 59.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -93.64 -55.57 3.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.478 ' O ' ' C ' ' A' ' 23' ' ' ARG . 18.8 m-70 -84.75 -10.26 57.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.606 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.518 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -32.67 -72.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.82 -43.61 63.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.999 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.749 HD12 ' CZ3' ' A' ' 45' ' ' TRP . 1.0 OUTLIER -46.55 -60.82 2.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.729 HG23 ' CZ3' ' A' ' 45' ' ' TRP . 1.2 t -52.13 -62.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.668 ' N ' HG12 ' A' ' 26' ' ' VAL . 3.4 mtm180 -38.64 -43.27 0.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -63.88 -55.89 19.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.455 ' OE1' ' CZ2' ' A' ' 45' ' ' TRP . 72.1 mt-10 -67.55 -8.91 37.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.484 ' CE1' HG21 ' A' ' 41' ' ' ILE . 26.9 m80 -150.12 76.02 8.76 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.585 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -32.14 5.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -14.52 25.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -77.64 155.37 31.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 36' ' ' ARG . 8.6 t0 -118.1 51.47 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 69.12 -66.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -39.97 -42.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' C ' HD12 ' A' ' 33' ' ' LEU . . . -79.03 -46.51 8.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.414 1.072 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.653 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -46.17 -44.69 16.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.2 m -52.85 -40.82 63.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.357 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -68.91 -19.86 64.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.484 HG21 ' CE1' ' A' ' 30' ' ' HIS . 2.4 mt -85.05 -40.11 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.981 HD22 ' HA ' ' A' ' 19' ' ' CYS . 1.0 OUTLIER -64.3 -44.33 91.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.66 -66.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 50.3 t0 -43.18 -59.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.749 ' CZ3' HD12 ' A' ' 25' ' ' LEU . 43.7 m0 -42.17 -50.15 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 108.051 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.626 ' CE3' HD22 ' A' ' 49' ' ' LEU . 35.5 t-105 -62.59 -51.58 66.75 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 44' ' ' ASP . . . -43.7 -31.92 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -108.77 55.43 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.639 HD23 ' HG3' ' A' ' 54' ' ' LYS . 22.9 tp -117.74 141.78 48.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.456 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -72.54 175.78 2.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.2 Cg_endo -75.02 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' PRO . 12.1 mttt -39.24 -51.38 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -46.93 88.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.639 ' HG3' HD23 ' A' ' 49' ' ' LEU . 14.3 mttt -59.81 -43.27 94.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -61.08 -42.43 98.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -61.31 -49.38 77.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.434 ' HH ' ' HD1' ' A' ' 18' ' ' PHE . 24.7 m-85 -62.31 -46.52 88.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 m -52.01 -20.78 2.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 110.381 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -84.33 -54.19 4.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.571 ' HB2' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -47.31 -40.56 17.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.425 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -69.91 -52.66 22.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.62 -37.95 13.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -51.14 18.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.451 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 3.1 m-85 -59.37 -45.92 90.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 66' ' ' ASP . 2.9 tttt -51.62 -64.86 0.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' LYS . 17.9 t70 -40.31 -34.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -78.3 -55.91 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -39.69 -48.32 2.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.982 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 23.6 mmt -76.02 85.94 2.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -148.79 -64.21 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.42 66.17 8.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -143.72 121.4 6.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -48.53 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.543 1.812 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.66 -133.64 0.02 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.427 ' CG ' ' N ' ' A' ' 76' ' ' ARG . 60.1 t80 52.59 174.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.427 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 6.3 tpp180 179.67 115.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.0 t -64.27 79.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' ARG . . . -77.2 -145.67 2.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 157.21 42.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.84 -60.0 1.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.3 m -56.64 94.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.591 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 2.4 ptp . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.527 0.203 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.443 ' HA ' ' HB1' ' A' ' 61' ' ' ALA . 36.2 m-80 -152.58 165.29 35.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.356 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.548 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -47.47 -35.81 9.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.434 ' HA ' ' CE3' ' A' ' 46' ' ' TRP . 11.4 t80 -81.84 -47.3 12.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mt -59.86 -17.92 40.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 14' ' ' ALA . 20.7 mt -79.3 -48.16 14.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.728 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 10.6 t80 -63.76 -25.12 68.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.949 ' HA ' HD22 ' A' ' 42' ' ' LEU . 10.2 t -78.18 -37.44 45.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 108.292 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.78 -12.14 60.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.561 HH21 ' HE1' ' A' ' 60' ' ' MET . 1.5 mtt180 -100.51 -43.69 6.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.728 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 47.1 m80 -89.13 -11.2 44.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.09 -63.17 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.462 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -54.93 -48.92 72.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.964 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.711 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -43.74 -62.48 1.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.682 HG21 ' HG ' ' A' ' 42' ' ' LEU . 4.4 t -56.98 -64.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.414 ' O ' ' CA ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -38.45 -38.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 24' ' ' SER . 8.7 mm-40 -70.15 -58.8 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.526 ' C ' ' CG ' ' A' ' 30' ' ' HIS . 17.2 mm-40 -62.44 -12.97 24.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.526 ' CG ' ' C ' ' A' ' 29' ' ' GLU . 1.8 m-70 -159.07 80.09 2.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.594 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.414 ' CA ' ' O ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -75.03 -44.6 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -36.16 60.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' A' ' 30' ' ' HIS . 1.5 mm? -43.69 165.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -112.25 166.04 11.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -46.75 -25.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' ' 34' ' ' ASP . 10.3 mmt85 -87.54 -39.23 15.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.468 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -69.65 -54.23 13.3 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.428 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -59.21 -30.34 68.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.3 m -77.9 -19.68 54.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.44 -24.94 36.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.6 mt -82.35 -41.16 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.949 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.8 mt -60.38 -43.3 96.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.99 -65.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.561 ' O ' HG22 ' A' ' 48' ' ' VAL . 6.3 t0 -48.98 -54.64 14.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.711 ' HH2' HD12 ' A' ' 25' ' ' LEU . 12.9 m0 -43.51 -40.84 4.11 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.562 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 34.9 t-105 -75.97 -52.41 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.8 -27.78 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 44' ' ' ASP . 24.1 m -109.77 51.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.251 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.688 HD23 ' HG3' ' A' ' 54' ' ' LYS . 21.6 tp -119.97 143.79 47.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.469 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -76.32 176.35 3.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.02 -53.1 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.502 1.791 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -39.35 -48.48 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -65.17 -50.1 67.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.688 ' HG3' HD23 ' A' ' 49' ' ' LEU . 11.9 mttm -56.32 -40.51 74.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -53.08 -67.47 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -46.3 -45.67 17.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.438 ' O ' ' CD1' ' A' ' 17' ' ' LEU . 7.1 m-85 -60.98 -49.98 75.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.513 ' HA ' ' HB2' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -54.3 -41.39 68.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.37 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.14 -46.98 88.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.561 ' HE1' HH21 ' A' ' 21' ' ' ARG . 1.4 mtp -56.19 -42.26 76.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.443 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -72.27 -48.2 44.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -19.1 61.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.52 -40.54 9.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.591 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 2.5 m-85 -70.27 -36.73 74.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.497 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.477 0.179 . . . . 0.0 111.04 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' H ' HD12 ' A' ' 16' ' ' LEU . 85.2 m-20 -82.94 -174.53 5.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -68.78 -46.95 67.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -63.95 -34.31 77.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.45 HD12 ' H ' ' A' ' 13' ' ' ASN . 19.0 mt -67.06 -33.55 75.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.533 HD21 ' CE2' ' A' ' 64' ' ' TYR . 16.8 mt -65.88 -59.62 3.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.781 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 5.7 t80 -53.46 -29.93 38.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.713 ' HA ' HD22 ' A' ' 42' ' ' LEU . 9.4 t -73.81 -44.16 56.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.292 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.8 -9.97 59.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -96.21 -54.05 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.781 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 53.8 m80 -81.98 -11.85 58.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.57 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.65 -67.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.412 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -51.21 -46.49 62.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.738 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -45.72 -68.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.542 HG21 ' HG ' ' A' ' 42' ' ' LEU . 3.1 t -52.89 -62.1 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -38.67 -38.47 0.41 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.412 ' CG ' ' O ' ' A' ' 24' ' ' SER . 2.8 mm100 -72.47 -62.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -55.33 -19.05 7.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.523 ' HB3' HD23 ' A' ' 33' ' ' LEU . 3.6 m-70 -141.31 80.9 16.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.611 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.94 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.511 1.795 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -39.92 95.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.523 HD23 ' HB3' ' A' ' 30' ' ' HIS . 1.7 mm? -40.54 157.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 37' ' ' GLY . 21.3 t70 -105.31 162.35 13.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -41.56 -33.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -79.77 -44.21 21.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -62.26 -56.49 21.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.429 1.08 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.34 -51.33 55.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.2 m -58.31 -34.72 70.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -40.6 97.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.424 HD12 ' CG ' ' A' ' 30' ' ' HIS . 4.6 mt -68.51 -42.3 83.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.713 HD22 ' HA ' ' A' ' 19' ' ' CYS . 1.2 mt -60.84 -37.05 80.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.75 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.501 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 7.2 t70 -47.04 -51.32 17.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.738 ' HH2' HD12 ' A' ' 25' ' ' LEU . 23.5 m0 -43.1 -47.48 6.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 107.992 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 36.3 t-105 -71.67 -47.13 56.28 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -49.2 -26.14 2.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 48' ' ' VAL . 21.1 m -113.25 53.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.692 HD23 ' HG3' ' A' ' 54' ' ' LYS . 15.2 tp -123.4 145.6 48.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.426 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -79.56 174.01 6.8 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.2 Cg_endo -74.96 -44.41 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.511 1.795 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mttp -46.82 -48.31 20.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -64.68 -44.75 89.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.692 ' HG3' HD23 ' A' ' 49' ' ' LEU . 4.8 mttm -57.53 -32.45 67.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' THR . 5.3 tp60 -57.69 -70.91 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -39.81 -44.73 1.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -67.96 -43.4 79.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.044 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' GLN . 12.3 m -60.57 -24.82 65.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.69 -47.33 12.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.46 ' HB2' HD13 ' A' ' 17' ' ' LEU . 7.3 mtm -54.09 -41.92 68.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.497 ' HB1' ' O ' ' A' ' 12' ' ' MET . . . -68.94 -43.81 74.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.03 -48.51 79.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.23 -38.5 88.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.533 ' CE2' HD21 ' A' ' 17' ' ' LEU . 1.2 m-85 -65.92 -36.56 83.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.591 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 5.0 ptp . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.514 0.197 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -77.04 -174.01 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.644 ' HB1' ' HH2' ' A' ' 46' ' ' TRP . . . -67.79 -42.9 80.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.47 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 3.2 t80 -67.86 -37.67 82.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.55 -28.74 69.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.443 HD13 ' HB2' ' A' ' 60' ' ' MET . 18.4 mt -70.36 -57.95 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.745 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 10.5 t80 -51.74 -43.43 62.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.917 ' HA ' HD22 ' A' ' 42' ' ' LEU . 64.4 m -62.78 -38.97 92.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -71.83 -19.91 61.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -90.04 -59.51 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.745 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 39.2 m80 -72.8 -11.09 60.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.582 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -35.91 -66.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 3.9 m -54.6 -46.06 73.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.472 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -46.62 -70.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.649 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.6 t -49.21 -61.85 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.7 -46.09 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 24' ' ' SER . 5.0 mm100 -66.87 -66.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -48.85 -24.09 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.552 ' CE1' HD13 ' A' ' 41' ' ' ILE . 8.7 m-70 -134.39 82.42 46.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.616 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.779 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.88 -34.38 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.679 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.4 OUTLIER -58.05 149.14 24.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.06 -81.79 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -145.96 -57.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -37.72 67.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.679 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -63.3 -57.5 14.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.636 ' HB1' HG12 ' A' ' 26' ' ' VAL . . . -55.84 -41.05 73.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.6 m -56.49 -39.46 73.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -64.4 -38.67 91.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.552 HD13 ' CE1' ' A' ' 30' ' ' HIS . 4.7 mt -67.43 -46.99 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.917 HD22 ' HA ' ' A' ' 19' ' ' CYS . 1.6 mt -57.9 -32.55 67.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -58.09 -68.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.591 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 14.5 t70 -44.08 -46.75 8.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.502 ' CZ3' ' HB3' ' A' ' 22' ' ' HIS . 18.8 m0 -47.5 -44.17 25.29 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.644 ' HH2' ' HB1' ' A' ' 14' ' ' ALA . 44.9 t-105 -78.03 -46.73 20.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.033 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.591 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -51.76 -22.01 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 48' ' ' VAL . 5.3 m -120.63 57.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.741 HD23 ' HG3' ' A' ' 54' ' ' LYS . 13.6 tp -127.74 138.76 52.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -68.95 174.11 3.04 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.428 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.1 Cg_endo -75.06 -43.47 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.436 1.756 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -45.15 -54.82 6.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.488 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -57.98 -48.72 79.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.741 ' HG3' HD23 ' A' ' 49' ' ' LEU . 9.4 mttm -53.68 -38.32 64.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -52.57 -72.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -41.74 -43.99 3.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -62.51 -53.59 52.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -50.66 -39.78 51.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.421 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -62.44 -47.74 82.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.443 ' HB2' HD13 ' A' ' 17' ' ' LEU . 7.4 mtm -54.19 -42.24 69.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.11 -51.59 17.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -30.28 47.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.82 -47.42 11.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.591 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 2.5 m-85 -61.29 -45.92 92.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.595 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 12.4 ptp . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.451 0.167 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -77.6 179.38 6.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.449 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -57.23 -41.43 79.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -67.06 -46.65 73.69 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 16' ' ' LEU . 12.6 mt -55.22 -29.56 58.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.505 HD13 ' HB2' ' A' ' 60' ' ' MET . 17.5 mt -70.2 -54.17 13.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.628 ' HE2' HD13 ' A' ' 49' ' ' LEU . 9.5 t80 -54.25 -44.05 71.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.952 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.977 ' HA ' HD22 ' A' ' 42' ' ' LEU . 43.7 t -63.95 -36.01 82.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 108.232 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -30.9 67.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -82.22 -59.18 2.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.6 ' HB2' HD23 ' A' ' 42' ' ' LEU . 44.6 m80 -70.77 -11.09 60.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.579 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.11 -68.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.432 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -54.54 -48.4 72.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.456 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -42.04 -70.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.795 HG12 ' HB1' ' A' ' 38' ' ' ALA . 2.2 t -50.52 -63.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.413 ' N ' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -38.23 -40.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 24' ' ' SER . 3.1 mm100 -71.65 -65.22 0.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -51.68 -23.16 4.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.539 ' CE1' HD13 ' A' ' 41' ' ' ILE . 6.0 m-70 -135.89 81.62 39.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.616 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -53.53 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.36 -31.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.652 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.6 OUTLIER -59.62 148.66 32.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' ARG . 49.9 m-20 -110.16 51.52 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 69.0 -65.94 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' ASP . 3.5 tpt180 -40.19 -44.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.652 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -76.53 -43.43 19.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.795 ' HB1' HG12 ' A' ' 26' ' ' VAL . . . -58.27 -44.92 88.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 0.802 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m -49.79 -45.36 49.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -57.31 -37.22 72.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.539 HD13 ' CE1' ' A' ' 30' ' ' HIS . 5.9 mt -66.89 -49.49 73.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.977 HD22 ' HA ' ' A' ' 19' ' ' CYS . 2.1 mt -53.9 -33.26 56.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 40' ' ' LYS . . . -59.32 -69.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.583 ' O ' HG22 ' A' ' 48' ' ' VAL . 7.4 t0 -45.42 -38.96 6.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.456 ' HH2' HD12 ' A' ' 25' ' ' LEU . 11.8 m0 -56.27 -45.44 80.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 107.983 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.571 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 47.6 t-105 -75.26 -47.1 29.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.479 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -48.95 -24.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 48' ' ' VAL . 4.5 m -119.85 60.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.628 HD13 ' HE2' ' A' ' 18' ' ' PHE . 27.5 tp -127.46 151.17 49.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.78 172.59 9.13 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.93 1.8 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -49.26 -48.09 46.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.604 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -65.76 -43.92 87.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.247 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 3.1 mttm -59.1 -22.77 61.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.342 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -61.46 -73.78 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.2 -35.62 12.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.433 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 4.3 m-85 -68.33 -50.06 56.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.6 -39.38 76.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.46 -53.36 29.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.505 ' HB2' HD13 ' A' ' 17' ' ' LEU . 22.0 mtm -46.54 -46.15 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.444 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -66.24 -53.21 39.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 109.245 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -39.7 -47.13 1.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.07 -54.14 20.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.595 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 7.9 m-85 -52.68 -45.13 66.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 tttt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.414 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 11.8 ptp . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.54 0.21 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 6.0 p30 -98.02 179.66 4.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.494 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -61.01 -60.92 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -47.98 -25.6 1.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 16' ' ' LEU . 6.4 mt -76.64 -36.65 57.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.557 HD21 ' CD2' ' A' ' 64' ' ' TYR . 11.3 mt -64.65 -57.33 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.794 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 6.3 t80 -51.84 -35.91 46.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.888 ' HA ' HD22 ' A' ' 42' ' ' LEU . 80.4 m -69.82 -36.53 75.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 108.285 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -75.23 -10.32 59.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.253 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -99.26 -45.04 6.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.794 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 43.9 m80 -89.68 -11.33 42.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.61 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.47 -65.63 0.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 8.2 t -52.03 -48.73 64.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.629 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -45.75 -63.84 0.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.5 HG21 ' HG ' ' A' ' 42' ' ' LEU . 3.5 t -55.69 -61.61 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.31 -29.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 24' ' ' SER . 2.3 mm100 -83.82 -61.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -57.58 -16.63 10.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.569 ' CD2' HG21 ' A' ' 41' ' ' ILE . 21.5 m-70 -141.2 79.16 18.1 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 0.0 109.573 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -41.29 0.67 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.496 1.787 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -20.56 3.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -69.8 153.2 43.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 36' ' ' ARG . 7.3 m-20 -120.35 53.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.435 ' OD1' ' NH2' ' A' ' 23' ' ' ARG . 43.7 t30 69.03 -66.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' ASP . 2.3 mtt180 -39.26 -40.76 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.528 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -80.95 -47.59 6.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.87 -43.77 13.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.9 m -57.54 -42.13 82.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.445 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -20.94 65.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.569 HG21 ' CD2' ' A' ' 30' ' ' HIS . 1.6 mm -83.84 -36.44 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.888 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.3 mt -69.69 -41.42 75.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.11 -47.6 23.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -60.21 -61.43 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.629 ' HH2' HD12 ' A' ' 25' ' ' LEU . 29.0 m0 -42.3 -50.51 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 107.957 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.572 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 29.3 t-105 -62.14 -51.96 65.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.014 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.08 -33.02 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.4 m -104.36 51.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.728 HD23 ' HG3' ' A' ' 54' ' ' LYS . 20.6 tp -118.22 139.71 50.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.467 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -71.01 176.42 2.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.0 -54.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' PRO . 8.3 mttm -39.77 -52.21 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -49.17 78.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.728 ' HG3' HD23 ' A' ' 49' ' ' LEU . 16.9 mttt -56.62 -46.25 81.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.82 -37.57 88.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -59.44 -56.62 19.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -55.09 -42.34 72.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -52.72 -29.18 25.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.431 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -78.31 -32.07 49.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.574 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.1 mtm -75.36 -26.48 58.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.45 -58.3 2.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.21 -28.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -81.04 -43.22 19.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 60' ' ' MET . 2.6 m-85 -70.07 -38.97 75.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 tttm . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.948 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.562 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 4.4 ptp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.438 0.161 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -75.67 -178.26 4.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -63.4 -28.6 70.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -78.57 -43.92 25.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt -61.31 -15.41 35.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 14' ' ' ALA . 38.5 mt -81.14 -52.74 7.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 57' ' ' TYR . 6.5 t80 -59.6 -29.44 67.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.983 ' HA ' HD22 ' A' ' 42' ' ' LEU . 15.4 m -71.93 -44.57 63.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 108.304 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -9.72 58.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.79 -49.93 6.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.467 ' O ' ' C ' ' A' ' 23' ' ' ARG . 16.8 m80 -93.57 -10.05 36.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -33.64 -64.78 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.476 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -53.33 -45.28 69.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.502 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -47.78 -62.45 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 30' ' ' HIS . 3.3 t -58.48 -60.88 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -38.6 -33.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.252 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 24' ' ' SER . 0.9 OUTLIER -75.76 -58.27 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -63.67 -12.25 32.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 26' ' ' VAL . 13.8 m-70 -143.19 74.99 17.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -34.24 3.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -30.89 65.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -62.12 152.42 32.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.23 -80.91 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 36' ' ' ARG . 3.9 p30 -151.55 -51.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.422 ' N ' ' OD1' ' A' ' 35' ' ' ASN . 3.5 ttp85 -64.15 -29.92 71.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.422 ' C ' HD12 ' A' ' 33' ' ' LEU . . . -70.12 -50.05 30.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.625 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -55.27 -19.19 7.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 0.787 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.9 m -84.73 -13.09 52.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.17 -33.46 38.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.25 -43.0 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.983 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.5 mt -58.41 -47.07 85.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.74 -58.14 3.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -58.25 -49.11 78.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.502 ' HH2' HD12 ' A' ' 25' ' ' LEU . 12.8 m0 -49.91 -33.61 17.88 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 46.2 t-105 -82.26 -50.14 9.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 108.033 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.2 -26.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 48' ' ' VAL . 11.3 m -114.14 55.82 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.543 HD23 ' HG3' ' A' ' 54' ' ' LYS . 25.7 tp -118.96 154.24 33.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.475 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -88.83 176.74 2.99 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -74.95 -50.47 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -40.77 -47.75 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.476 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -65.85 -49.86 66.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 14.5 mttt -56.54 -35.87 68.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -59.61 -64.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -47.62 -45.11 27.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.529 ' CZ ' ' HB2' ' A' ' 18' ' ' PHE . 14.0 m-85 -59.84 -45.63 91.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.1 m -58.22 -39.54 79.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -65.75 -46.98 76.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.454 ' HB2' HD13 ' A' ' 17' ' ' LEU . 4.1 mtp -61.13 -40.87 95.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.538 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -67.34 -52.71 36.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -27.96 51.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -81.91 -46.76 13.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.241 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.562 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 2.2 m-85 -64.74 -41.09 96.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.544 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.497 0.189 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -91.75 -173.84 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.607 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -64.33 -41.4 96.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -63.22 -51.13 67.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mt -50.31 -35.68 28.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.513 HD21 ' CE2' ' A' ' 64' ' ' TYR . 11.6 mt -64.73 -56.73 11.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.788 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 4.6 t80 -54.08 -36.7 63.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.773 ' SG ' HD13 ' A' ' 42' ' ' LEU . 48.6 t -68.58 -34.69 76.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 108.322 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -76.31 -9.8 58.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -95.57 -50.17 5.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.788 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 38.9 m80 -86.12 -11.33 52.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 0.0 109.566 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.83 -67.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 19.9 p -52.15 -41.95 62.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.987 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.603 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -50.34 -68.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.525 HG21 ' HG ' ' A' ' 42' ' ' LEU . 3.2 t -54.14 -60.11 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.0 -45.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 24' ' ' SER . 5.8 mm100 -65.19 -66.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -50.67 -25.41 4.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.631 ' CE1' ' CD1' ' A' ' 41' ' ' ILE . 3.6 m-70 -134.92 82.43 43.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.573 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -38.95 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -40.52 87.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.527 HD23 ' HB3' ' A' ' 30' ' ' HIS . 2.0 mm? -40.62 156.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -106.22 161.12 14.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -41.43 -33.16 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.35 -44.58 21.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.238 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -62.45 -56.74 19.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.35 -48.43 55.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.2 m -53.3 -42.46 66.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -53.67 -49.81 67.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.631 ' CD1' ' CE1' ' A' ' 30' ' ' HIS . 4.9 mt -59.9 -48.1 89.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.773 HD13 ' SG ' ' A' ' 19' ' ' CYS . 2.1 mt -55.56 -45.0 77.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 40' ' ' LYS . . . -45.86 -60.77 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -50.37 -56.99 9.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.603 ' HH2' HD12 ' A' ' 25' ' ' LEU . 26.0 m0 -41.92 -40.67 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.798 ' CE3' HD22 ' A' ' 49' ' ' LEU . 51.8 t-105 -75.61 -50.88 14.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 108.033 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.43 -27.18 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 48' ' ' VAL . 11.4 m -113.47 54.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.832 HD23 ' HG3' ' A' ' 54' ' ' LYS . 19.8 tp -117.99 145.24 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.487 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -79.57 177.51 2.87 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.4 Cg_endo -74.94 -51.72 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.811 . . . . 0.0 111.047 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.39 -48.9 2.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.623 ' HG2' HD11 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -64.23 -51.53 63.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.832 ' HG3' HD23 ' A' ' 49' ' ' LEU . 10.4 mttm -54.09 -36.15 62.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -60.41 -69.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -41.44 -45.86 3.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.607 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 16.8 m-85 -65.06 -42.77 93.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -57.67 -28.47 63.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -79.27 -54.41 5.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.467 ' HB2' HD13 ' A' ' 17' ' ' LEU . 9.9 mtm -47.18 -47.72 23.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.544 ' HB1' ' O ' ' A' ' 12' ' ' MET . . . -67.73 -46.77 71.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -49.42 -45.49 46.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -68.82 -46.74 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.513 ' CE2' HD21 ' A' ' 17' ' ' LEU . 5.1 m-85 -57.39 -47.38 81.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.637 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.503 0.192 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -93.0 -172.0 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.563 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -69.83 -50.39 43.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CE1' ' SG ' ' A' ' 19' ' ' CYS . 7.7 t80 -57.63 -41.55 81.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 mt -59.53 -36.12 75.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.532 HD13 ' HB2' ' A' ' 60' ' ' MET . 12.0 mt -64.4 -52.28 59.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.809 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 4.8 t80 -54.95 -38.46 67.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.912 ' HA ' HD22 ' A' ' 42' ' ' LEU . 60.4 m -68.2 -38.96 82.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.276 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -19.26 63.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.56 -56.5 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.809 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 38.2 m80 -76.02 -10.99 59.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.593 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.545 ' CZ ' ' NH1' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -36.33 -69.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.76 -46.2 40.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.739 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -47.0 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.748 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.7 t -50.82 -59.18 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.545 ' NH1' ' CZ ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -41.17 -42.43 2.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 110.338 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -67.77 -63.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -54.98 -19.69 7.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.531 ' CG ' HD12 ' A' ' 41' ' ' ILE . 10.0 m-70 -141.42 81.41 15.41 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.587 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -49.75 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -45.7 -26.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.639 HD12 ' HA3' ' A' ' 37' ' ' GLY . 1.0 OUTLIER -64.52 146.15 55.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.14 -87.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -135.96 -64.24 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -52.86 -40.23 63.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.639 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -59.66 -56.11 26.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.46 -47.52 72.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 0.787 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.1 m -61.77 -18.76 61.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.52 -34.96 53.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.531 HD12 ' CG ' ' A' ' 30' ' ' HIS . 7.8 mt -77.7 -49.01 22.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.912 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.1 mt -46.5 -54.06 10.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' ASP . . . -40.44 -68.52 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 28.5 t0 -39.84 -60.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.739 ' HH2' HD12 ' A' ' 25' ' ' LEU . 24.5 m0 -42.28 -56.56 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.572 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 21.0 t-105 -55.71 -51.74 66.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 108.04 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 44' ' ' ASP . . . -44.21 -29.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' A' ' 45' ' ' TRP . 27.2 m -111.4 55.82 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.237 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.69 HD21 ' HB3' ' A' ' 53' ' ' GLU . 22.6 tp -120.6 154.49 35.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.439 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -82.3 174.75 5.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.4 Cg_endo -74.94 -51.23 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.444 1.76 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -39.66 -48.9 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.69 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -64.06 -48.58 75.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.572 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 8.0 mttt -56.75 -29.45 62.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.75 -62.46 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -46.51 -31.19 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.563 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 11.8 m-85 -80.81 -43.71 19.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 m -58.13 -28.36 64.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.381 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -76.31 -49.0 18.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.532 ' HB2' HD13 ' A' ' 17' ' ' LEU . 21.8 mtm -55.37 -45.97 76.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.637 ' HB1' ' O ' ' A' ' 12' ' ' MET . . . -66.44 -45.22 80.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -51.08 65.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.54 -40.37 95.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.461 ' CE2' HD21 ' A' ' 17' ' ' LEU . 1.9 m-85 -62.9 -41.41 99.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.4 tttt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.571 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 6.4 ptp . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.469 0.176 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.546 HD22 HD12 ' A' ' 16' ' ' LEU . 36.7 m-80 -123.17 -170.05 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -74.92 -40.32 60.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -62.62 -51.22 68.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.546 HD12 HD22 ' A' ' 13' ' ' ASN . 16.1 mt -50.81 -34.15 26.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.499 HD13 ' HB2' ' A' ' 60' ' ' MET . 32.7 mt -67.79 -39.72 84.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.688 ' CD2' HD22 ' A' ' 49' ' ' LEU . 19.2 t80 -73.03 -30.33 63.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.907 ' HA ' HD22 ' A' ' 42' ' ' LEU . 1.8 p -76.56 -29.07 56.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 108.326 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.05 -24.0 43.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.01 -57.85 2.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.595 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 29.7 m80 -72.61 -10.91 60.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.579 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -35.81 -71.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.477 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -52.22 -46.1 65.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.779 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -45.7 -62.68 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.659 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.9 t -57.16 -63.17 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.09 -29.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 24' ' ' SER . 3.3 mm100 -82.5 -58.72 2.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.243 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -61.42 -13.57 21.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.504 ' CD2' HG21 ' A' ' 41' ' ' ILE . 17.5 m-70 -141.86 76.26 20.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.588 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -40.25 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -25.24 7.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.647 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -67.91 151.55 46.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -93.1 -66.51 0.92 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -162.78 -58.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -54.86 -31.6 59.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.291 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.647 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -74.55 -51.98 7.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.34 -40.46 59.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.2 m -64.45 -38.73 92.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -24.1 66.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.504 HG21 ' CD2' ' A' ' 30' ' ' HIS . 1.3 mm -80.89 -47.23 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.907 HD22 ' HA ' ' A' ' 19' ' ' CYS . 2.6 mt -57.22 -32.99 67.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -56.88 -68.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.44 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -43.86 -54.3 5.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.779 ' HH2' HD12 ' A' ' 25' ' ' LEU . 13.3 m0 -44.83 -41.55 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CH2' ' HG2' ' A' ' 54' ' ' LYS . 51.7 t-105 -75.38 -50.76 14.89 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.01 -24.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 48' ' ' VAL . 5.3 m -119.99 60.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.688 HD22 ' CD2' ' A' ' 18' ' ' PHE . 46.1 tp -126.85 139.96 52.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.4 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.7 OUTLIER -63.99 173.01 1.54 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -74.95 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.799 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -38.85 -52.64 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.555 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -61.39 -52.3 65.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.352 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.573 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 12.0 mttm -53.56 -42.73 67.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -51.67 -68.72 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -46.25 -45.4 17.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -58.81 -52.84 64.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.98 -32.77 61.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.371 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -69.23 -38.09 78.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.585 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 11.4 mtm -64.73 -37.0 86.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.58 -46.01 34.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -46.55 66.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -67.77 -43.85 78.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CD2' ' O ' ' A' ' 60' ' ' MET . 2.0 m-85 -62.45 -51.1 68.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.462 ' SD ' ' CG ' ' A' ' 64' ' ' TYR . 7.4 ptp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.49 0.186 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.41 ' ND2' HD12 ' A' ' 16' ' ' LEU . 6.9 p30 -148.74 -173.8 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -64.36 -64.2 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -46.3 -40.4 11.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.635 HD22 ' NZ ' ' A' ' 20' ' ' LYS . 2.8 mt -61.52 -38.64 88.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.544 HD21 ' CE2' ' A' ' 64' ' ' TYR . 14.3 mt -63.42 -42.06 98.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.652 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 32.8 t80 -66.45 -34.43 77.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.961 ' HA ' HD22 ' A' ' 42' ' ' LEU . 97.9 m -77.08 -29.05 54.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.635 ' NZ ' HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -76.43 -22.74 54.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.36 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -94.06 -56.72 2.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.652 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 54.4 m80 -70.48 -11.58 61.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.641 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -39.31 -71.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.244 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -47.66 -48.42 28.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.954 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.454 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.8 OUTLIER -42.94 -66.69 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.635 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.7 t -52.89 -61.43 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.78 -44.38 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.102 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -66.8 -62.65 1.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -54.53 -19.0 5.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.594 ' CE1' HD13 ' A' ' 41' ' ' ILE . 7.7 m-70 -141.6 81.53 15.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.64 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -36.24 2.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -21.76 61.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.263 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -73.51 153.63 40.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.2 -75.73 0.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -146.44 -68.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.7 mmm-85 -46.67 -42.63 16.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.533 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -60.47 -54.41 37.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.634 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -60.27 -37.99 82.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 0.806 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.8 m -57.22 -41.48 79.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.398 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -34.73 78.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.594 HD13 ' CE1' ' A' ' 30' ' ' HIS . 5.7 mt -69.67 -43.95 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.961 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.1 mt -59.81 -40.96 90.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -46.89 -70.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.654 ' O ' HG22 ' A' ' 48' ' ' VAL . 21.3 t70 -42.81 -55.67 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.454 ' HH2' HD12 ' A' ' 25' ' ' LEU . 17.7 m0 -42.63 -44.5 4.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 108.037 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.571 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 56.7 t-105 -73.72 -48.18 33.89 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -52.35 -24.89 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 44' ' ' ASP . 28.4 m -115.09 55.91 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.881 HD23 ' HG3' ' A' ' 54' ' ' LYS . 22.1 tp -126.52 149.94 49.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.472 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -82.77 176.52 3.74 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.02 -53.49 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 51' ' ' PRO . 5.1 mtmt -39.84 -46.58 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.401 ' CG ' HD11 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -67.81 -50.93 54.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.881 ' HG3' HD23 ' A' ' 49' ' ' LEU . 9.4 mttm -55.19 -36.43 65.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 57' ' ' TYR . 2.8 tp60 -63.0 -65.83 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 57' ' ' TYR . 7.1 pttt -42.18 -29.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.41 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 7.5 m-85 -82.55 -51.38 7.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.492 ' HA ' ' HB2' ' A' ' 14' ' ' ALA . 1.7 m -52.11 -26.22 10.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -77.21 -48.98 16.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.551 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 14.6 mtm -52.92 -38.97 62.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.454 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -72.44 -45.67 58.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -48.96 -50.94 33.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.89 -45.28 90.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.551 ' CD2' ' O ' ' A' ' 60' ' ' MET . 3.3 m-85 -60.12 -47.76 84.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.593 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 7.5 ptp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.445 0.164 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.486 ' H ' HD12 ' A' ' 16' ' ' LEU . 16.0 t30 -74.13 -179.55 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.59 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -59.53 -43.89 93.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.525 ' HA ' ' CE3' ' A' ' 46' ' ' TRP . 3.7 t80 -66.9 -43.67 82.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.486 HD12 ' H ' ' A' ' 13' ' ' ASN . 28.2 mt -59.11 -27.15 65.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 14' ' ' ALA . 20.5 mt -71.78 -56.81 5.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.778 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 3.9 t80 -59.81 -27.27 66.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.911 ' SG ' HD13 ' A' ' 42' ' ' LEU . 17.4 t -77.97 -35.94 49.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 108.33 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.09 -17.69 60.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -90.34 -52.39 4.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.778 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 60.7 m80 -80.49 -11.26 59.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.59 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -37.73 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.42 -33.74 55.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.587 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -58.12 -67.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.582 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.4 t -48.76 -48.83 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.72 -48.91 40.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -61.78 -58.3 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -60.42 -14.64 20.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.526 ' CE1' HD13 ' A' ' 41' ' ' ILE . 44.5 m-70 -139.96 76.37 28.17 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.596 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.84 13.4 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.455 1.766 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.89 -18.09 64.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.593 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -79.92 156.33 27.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -96.95 -57.96 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -176.45 -47.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.5 mmm-85 -62.2 -24.52 67.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.535 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -84.51 -46.41 5.79 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.796 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -56.06 -18.96 11.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.3 m -83.04 -23.92 33.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.29 -16.61 45.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.526 HD13 ' CE1' ' A' ' 30' ' ' HIS . 11.2 mt -93.4 -27.98 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.368 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.911 HD13 ' SG ' ' A' ' 19' ' ' CYS . 3.0 mt -74.93 -38.6 61.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -50.51 -67.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.419 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -43.75 -55.1 4.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.587 ' HH2' HD12 ' A' ' 25' ' ' LEU . 13.3 m0 -43.47 -40.45 3.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 107.976 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 46.6 t-105 -77.72 -50.94 11.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.017 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -44.58 -27.95 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 48' ' ' VAL . 6.0 m -111.69 55.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.554 HD23 ' HG3' ' A' ' 54' ' ' LYS . 18.5 tp -125.39 127.62 46.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.438 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -61.79 175.18 0.56 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.343 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.4 Cg_endo -75.0 -49.64 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -39.91 -51.43 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -49.49 75.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.576 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 7.2 mttm -54.49 -42.49 70.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -47.7 -65.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 57' ' ' TYR . 5.0 pttt -46.75 -50.88 17.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 18' ' ' PHE . 16.9 m-85 -57.32 -46.64 83.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.1 m -52.94 -41.55 64.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -60.99 -50.22 74.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.5 mtp -54.63 -41.55 70.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.43 -55.98 6.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.94 -37.2 6.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.86 -51.51 11.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.593 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 1.4 m-85 -57.13 -41.49 79.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.048 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.2 tttt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.678 ' HA ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.55 0.214 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 4.1 p30 -100.38 -176.74 3.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.625 ' HB1' ' HH2' ' A' ' 46' ' ' TRP . . . -64.05 -44.74 91.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.32 -33.08 70.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.958 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 12' ' ' MET . 10.9 mt -67.76 -38.44 83.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.565 HD21 ' CE2' ' A' ' 64' ' ' TYR . 18.0 mt -62.6 -62.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.761 ' CZ ' ' CE1' ' A' ' 22' ' ' HIS . 9.5 t80 -53.02 -33.72 53.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.663 ' HA ' HD22 ' A' ' 42' ' ' LEU . 5.7 t -72.4 -36.08 68.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 108.317 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -75.44 -15.96 60.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -46.82 8.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 110.296 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.761 ' CE1' ' CZ ' ' A' ' 18' ' ' PHE . 50.6 m80 -89.1 -11.42 44.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.621 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.64 -66.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.448 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -54.38 -42.27 70.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.991 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.66 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -52.62 -67.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.719 HG21 ' HG ' ' A' ' 42' ' ' LEU . 3.2 t -50.67 -60.61 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -38.79 -44.69 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 24' ' ' SER . 3.3 mm100 -68.03 -65.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -50.11 -22.66 1.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.477 ' CE1' HD13 ' A' ' 41' ' ' ILE . 8.5 m-70 -134.26 81.41 50.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.612 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 33' ' ' LEU . 18.3 Cg_endo -75.01 -58.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.84 -30.95 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.733 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -58.73 148.05 30.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 36' ' ' ARG . 1.4 t70 -108.55 51.26 0.75 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 m120 68.9 -66.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' ASP . 1.2 ttm180 -39.32 -45.58 1.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.733 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -70.01 -44.53 60.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.566 ' HB1' HG12 ' A' ' 26' ' ' VAL . . . -56.83 -41.85 78.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.2 m -51.93 -44.06 63.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.445 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.6 mmtp -62.9 -47.89 81.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.477 HD13 ' CE1' ' A' ' 30' ' ' HIS . 8.5 mt -57.78 -43.8 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.719 ' HG ' HG21 ' A' ' 26' ' ' VAL . 2.0 mt -62.9 -37.93 88.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -55.33 -67.01 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.546 ' O ' HG22 ' A' ' 48' ' ' VAL . 62.6 t0 -42.31 -56.52 2.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.66 ' HH2' HD12 ' A' ' 25' ' ' LEU . 25.5 m0 -42.31 -43.69 3.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 107.973 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.625 ' HH2' ' HB1' ' A' ' 14' ' ' ALA . 37.8 t-105 -74.04 -52.42 12.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.38 -33.27 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 44' ' ' ASP . 33.6 m -105.09 53.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.643 HD13 ' CE2' ' A' ' 18' ' ' PHE . 14.4 tp -125.15 129.22 49.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.453 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -66.71 175.79 1.29 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.453 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.03 -47.36 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.541 1.811 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.44 -45.2 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.467 ' HG2' HD11 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -68.91 -51.83 35.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.611 ' HG3' HD23 ' A' ' 49' ' ' LEU . 4.2 mttm -50.66 -35.89 32.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -51.48 -67.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.519 ' HE3' ' CZ ' ' A' ' 57' ' ' TYR . 7.8 pttt -41.26 -50.12 3.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.519 ' CZ ' ' HE3' ' A' ' 56' ' ' LYS . 54.6 m-85 -61.73 -54.47 42.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.1 m -41.02 -39.56 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.351 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -67.64 -54.29 20.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.2 mtm -51.66 -51.44 55.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.453 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -63.14 -41.16 99.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -46.16 76.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -68.05 -42.36 80.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.565 ' CE2' HD21 ' A' ' 17' ' ' LEU . 3.7 m-85 -61.41 -46.77 88.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.55 ' SD ' ' CG ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.518 0.199 . . . . 0.0 110.985 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -94.85 -171.91 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.456 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -69.04 -58.94 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.532 ' HA ' ' CE3' ' A' ' 46' ' ' TRP . 3.7 t80 -51.17 -34.68 32.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 16' ' ' LEU . 7.5 mt -66.6 -39.01 88.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 60' ' ' MET . 20.1 mt -61.01 -44.96 96.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.759 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 6.4 t80 -73.25 -17.15 61.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 111.054 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.744 ' HA ' HD22 ' A' ' 42' ' ' LEU . 49.9 t -85.67 -29.76 23.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.334 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.8 -9.76 57.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -93.64 -56.29 2.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.759 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 25.8 m80 -80.93 -11.37 59.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.07 -65.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.448 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 1.1 m -50.77 -46.16 59.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.735 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -50.15 -71.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.713 HG21 ' HG ' ' A' ' 42' ' ' LEU . 3.8 t -46.88 -58.6 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.38 -50.73 5.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 24' ' ' SER . 8.6 mm-40 -62.77 -66.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' CD ' ' CD1' ' A' ' 25' ' ' LEU . 93.8 mt-10 -48.55 -24.27 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.507 ' HB3' HD23 ' A' ' 33' ' ' LEU . 19.4 m-70 -135.29 83.04 39.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.588 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -43.43 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.457 1.767 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -61.31 -39.73 91.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.507 HD23 ' HB3' ' A' ' 30' ' ' HIS . 2.3 mm? -42.73 154.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' GLY . 1.2 m-20 -103.64 161.1 14.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -41.18 -36.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.22 -42.57 30.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -61.28 -57.89 16.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.46 -45.48 18.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 109.259 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.6 m -55.85 -39.32 71.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.361 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.86 -15.44 62.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.406 HG22 HG22 ' A' ' 26' ' ' VAL . 4.0 mm -91.3 -35.08 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.744 HD22 ' HA ' ' A' ' 19' ' ' CYS . 1.0 OUTLIER -78.27 -37.48 44.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.07 -58.09 7.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.448 ' O ' HG22 ' A' ' 48' ' ' VAL . 27.3 t0 -54.67 -58.16 8.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.735 ' HH2' HD12 ' A' ' 25' ' ' LEU . 32.3 m0 -42.16 -37.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 53.2 t-105 -78.12 -50.93 11.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.95 -38.4 22.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 48' ' ' VAL . 16.5 m -105.24 56.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.538 HD23 ' HG3' ' A' ' 54' ' ' LYS . 32.9 tp -106.73 -108.44 0.31 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.416 ' OD1' ' C ' ' A' ' 49' ' ' LEU . 3.6 p-10 170.87 161.26 0.22 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 50' ' ' ASP . 18.4 Cg_endo -75.02 -28.93 8.72 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -64.36 -43.97 92.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -45.65 40.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.573 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 14.1 mttt -54.1 -29.13 43.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -55.11 -73.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.83 -42.87 3.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -64.05 -45.35 89.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 54' ' ' LYS . 1.6 m -57.97 -35.58 71.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -68.98 -49.71 55.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.54 ' HB2' HD13 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -50.88 -43.45 59.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.78 -47.38 66.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.1 -52.92 18.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.27 -45.09 94.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.55 ' CG ' ' SD ' ' A' ' 12' ' ' MET . 1.1 m-85 -58.41 -42.97 88.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.458 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 10.1 ptp . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.474 0.178 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -95.11 -177.6 4.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.496 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -61.45 -56.59 18.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -51.96 -38.47 56.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.66 -39.61 94.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.224 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.579 HD13 ' HB2' ' A' ' 60' ' ' MET . 18.8 mt -59.95 -49.52 77.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.796 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 5.0 t80 -60.72 -40.17 91.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.723 ' SG ' HD13 ' A' ' 42' ' ' LEU . 33.7 t -68.71 -27.86 66.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 108.307 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -20.15 45.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -92.95 -43.41 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.796 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 56.1 m80 -87.53 -11.6 48.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.604 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -38.78 -69.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.488 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -51.89 -44.96 63.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.748 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -45.95 -71.01 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.58 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.4 t -52.2 -61.4 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.79 -40.0 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 24' ' ' SER . 5.0 mm100 -71.63 -61.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -55.99 -17.91 7.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 26' ' ' VAL . 8.1 m-70 -140.17 79.8 21.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.611 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -48.5 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.437 1.756 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.06 -32.52 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.513 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -56.51 157.59 5.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' ARG . 5.2 t0 -118.45 51.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.3 t30 67.6 -67.77 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' ASP . 7.3 ttt180 -39.94 -36.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.513 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -81.52 -46.82 6.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.664 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -53.77 -20.75 6.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.4 m -75.81 -13.08 60.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.42 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -37.88 15.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 38' ' ' ALA . 1.6 mp -75.38 -33.28 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.723 HD13 ' SG ' ' A' ' 19' ' ' CYS . 2.9 mt -69.0 -40.0 78.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.74 -69.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.45 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 12.9 t0 -41.84 -54.35 3.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.748 ' HH2' HD12 ' A' ' 25' ' ' LEU . 20.3 m0 -41.04 -51.25 3.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.0 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.583 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 43.8 t-105 -66.32 -46.56 76.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 107.954 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -51.04 -24.65 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 48' ' ' VAL . 30.6 m -115.83 55.99 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.749 HD22 ' CD2' ' A' ' 18' ' ' PHE . 39.0 tp -122.4 152.29 40.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.435 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -83.06 174.43 6.04 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -74.95 -52.0 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -39.38 -44.97 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -49.27 61.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.245 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.583 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 6.3 mttm -56.1 -29.37 60.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -71.84 -59.02 2.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.4 pttt -53.47 -24.88 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.413 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 5.4 m-85 -83.04 -52.38 6.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 111.056 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.96 -37.11 30.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -66.17 -49.93 65.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.579 ' HB2' HD13 ' A' ' 17' ' ' LEU . 21.4 mtm -55.65 -32.69 63.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.406 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -80.06 -47.3 15.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -27.06 64.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.27 -45.33 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 60' ' ' MET . 2.6 m-85 -66.73 -40.99 88.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.424 ' HA ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.548 0.213 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 13' ' ' ASN . 0.5 OUTLIER -150.42 -174.75 4.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -62.48 -61.82 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.413 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 13.5 t80 -49.81 -33.01 15.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -69.2 -27.63 65.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.658 HD12 ' HA ' ' A' ' 14' ' ' ALA . 21.6 mt -73.54 -42.93 61.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.663 ' CE1' ' CE1' ' A' ' 22' ' ' HIS . 59.3 t80 -67.8 -26.73 66.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.937 ' HA ' HD22 ' A' ' 42' ' ' LEU . 33.0 m -78.54 -41.43 32.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.338 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -9.76 51.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 17' ' ' LEU . 1.1 mmp_? -100.53 -58.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.663 ' CE1' ' CE1' ' A' ' 18' ' ' PHE . 23.3 m80 -76.08 -11.01 59.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.593 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.77 -72.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -41.9 65.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.829 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -46.87 -52.94 13.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.685 ' CG1' ' HB1' ' A' ' 38' ' ' ALA . 1.1 t -62.6 -60.03 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.644 ' N ' HG12 ' A' ' 26' ' ' VAL . 8.6 mtm180 -38.77 -33.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -76.9 -59.79 2.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.43 -16.28 34.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.27 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' VAL . 29.3 m-70 -145.63 79.8 11.07 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.625 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -41.98 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.75 -24.01 2.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.535 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -70.69 153.77 42.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -97.99 -69.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -155.68 -67.02 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.71 -32.65 8.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.534 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -72.76 -54.67 7.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.685 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -49.95 -40.55 44.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m -62.01 -42.52 99.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.429 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -25.21 59.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.573 ' HB ' HG21 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -80.85 -57.96 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.937 HD22 ' HA ' ' A' ' 19' ' ' CYS . 1.9 mt -44.0 -41.76 5.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -47.31 -69.57 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.449 ' O ' HG22 ' A' ' 48' ' ' VAL . 26.0 t0 -45.44 -50.12 12.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.829 ' HH2' HD12 ' A' ' 25' ' ' LEU . 20.1 m0 -48.75 -40.82 30.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.01 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.569 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 42.5 t-105 -73.85 -53.08 11.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 107.965 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.42 -27.9 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 48' ' ' VAL . 14.3 m -112.21 54.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.629 HD23 ' HG3' ' A' ' 54' ' ' LYS . 21.9 tp -119.3 151.49 38.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.464 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -84.52 176.58 3.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.1 Cg_endo -75.01 -52.01 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -39.96 -47.26 2.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.524 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -66.33 -46.79 75.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.629 ' HG3' HD23 ' A' ' 49' ' ' LEU . 13.6 mttt -59.61 -34.58 72.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -61.64 -64.31 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -45.57 -45.25 13.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.524 ' CD2' ' O ' ' A' ' 53' ' ' GLU . 16.4 m-85 -64.29 -49.93 69.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.82 -22.88 59.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.389 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -86.94 -43.08 12.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.564 ' HB2' HD13 ' A' ' 17' ' ' LEU . 19.5 mtm -59.39 -42.72 92.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.514 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -58.04 -48.93 78.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -40.99 64.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -75.54 -47.27 27.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.05 -37.58 33.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.942 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.541 ' SD ' ' CG ' ' A' ' 64' ' ' TYR . 6.8 ptp . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.492 0.187 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -91.8 -175.38 4.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.46 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -61.86 -64.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.598 ' CE1' ' SG ' ' A' ' 19' ' ' CYS . 7.3 t80 -47.85 -27.08 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 16' ' ' LEU . 1.4 mt -74.85 -36.54 62.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.605 HD21 ' CD2' ' A' ' 64' ' ' TYR . 23.5 mt -62.83 -56.52 16.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.804 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 7.8 t80 -57.01 -33.31 67.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.879 ' HA ' HD22 ' A' ' 42' ' ' LEU . 64.0 m -72.44 -37.77 68.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -11.0 60.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -98.4 -47.25 5.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.804 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 54.9 m80 -86.69 -11.48 51.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.642 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.69 -70.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.271 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.407 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -47.88 -50.01 27.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.018 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.538 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -41.5 -69.49 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.152 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' HIS . 2.8 t -52.54 -62.24 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.01 -34.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 24' ' ' SER . 6.1 mm100 -79.15 -62.62 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -54.32 -19.22 5.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' VAL . 10.1 m-70 -137.84 80.1 31.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.623 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.99 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.95 -30.19 9.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.603 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -61.9 151.55 34.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.36 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -94.8 -74.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -148.94 -71.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -45.21 -36.57 3.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.603 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -62.15 -58.97 10.31 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.409 ' HB1' HG12 ' A' ' 26' ' ' VAL . . . -56.27 -35.73 67.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.6 m -67.83 -30.18 69.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -15.81 58.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 mt -90.91 -32.45 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.879 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.1 mt -70.22 -43.4 70.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.16 -69.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' TRP . 0.7 OUTLIER -41.62 -59.25 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.538 ' HH2' HD12 ' A' ' 25' ' ' LEU . 18.9 m0 -42.31 -48.55 5.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 108.035 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 33.4 t-105 -65.71 -52.72 49.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 107.994 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -41.69 -35.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.7 m -99.41 49.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.574 HD13 ' CE2' ' A' ' 18' ' ' PHE . 18.0 tp -122.93 127.34 48.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.462 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -65.5 176.05 0.97 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.462 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.2 Cg_endo -74.96 -47.68 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.553 1.817 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.32 -48.17 2.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.404 ' HG2' HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -65.45 -46.98 77.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 3.5 mttm -56.61 -38.07 71.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -50.71 -64.34 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.461 ' CG ' ' N ' ' A' ' 57' ' ' TYR . 3.1 pttt -47.52 -49.6 25.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.461 ' N ' ' CG ' ' A' ' 56' ' ' LYS . 27.8 m-85 -58.87 -46.37 87.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 m -57.42 -34.01 68.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -76.53 -36.92 57.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.436 ' CB ' HD13 ' A' ' 17' ' ' LEU . 3.0 mtm -68.55 -32.56 72.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.462 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -78.34 -56.77 4.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.32 -23.15 5.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.19 -49.7 6.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.605 ' CD2' HD21 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -57.75 -50.36 73.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.521 0.2 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -86.09 -178.89 6.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.547 ' HB2' ' HA ' ' A' ' 58' ' ' THR . . . -64.03 -41.72 97.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -66.92 -43.1 84.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.07 -30.77 68.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.584 HD13 ' HB2' ' A' ' 60' ' ' MET . 19.4 mt -68.93 -45.01 71.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.784 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 49.8 t80 -63.37 -36.35 83.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.932 ' HA ' HD22 ' A' ' 42' ' ' LEU . 68.1 m -71.34 -37.04 71.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 108.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -9.81 58.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -100.16 -59.11 1.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.257 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.784 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 60.8 m80 -74.25 -10.78 59.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.633 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.36 -68.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 73.9 p -51.23 -49.65 60.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 110.007 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.432 ' HB3' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -42.43 -68.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.509 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.9 t -51.02 -63.34 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.66 -43.3 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.408 ' CG ' ' O ' ' A' ' 24' ' ' SER . 6.4 mm-40 -68.15 -62.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -54.09 -19.34 4.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.455 ' CE1' HD13 ' A' ' 41' ' ' ILE . 12.7 m-70 -139.68 80.82 20.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.6 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -32.42 5.33 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -25.35 68.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -69.04 151.69 46.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.17 -83.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -141.41 -67.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -48.79 -32.83 9.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.413 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -70.71 -55.56 8.26 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.48 ' HB1' HG12 ' A' ' 26' ' ' VAL . . . -58.66 -34.89 71.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.0 m -62.6 -36.91 84.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -66.79 -32.32 73.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CG2' HG22 ' A' ' 26' ' ' VAL . 8.4 mt -72.78 -44.35 59.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.932 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.6 mt -59.32 -37.54 78.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.61 -69.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.49 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 1.0 OUTLIER -44.6 -54.09 6.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.492 ' CE3' ' HB3' ' A' ' 22' ' ' HIS . 18.2 m0 -42.56 -44.92 4.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 108.006 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.579 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 48.8 t-105 -74.84 -51.37 14.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 108.006 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.49 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -48.27 -24.42 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 48' ' ' VAL . 4.8 m -116.16 57.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.564 HD23 ' HG3' ' A' ' 54' ' ' LYS . 34.3 tp -124.88 155.98 38.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.466 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -87.01 176.23 3.69 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -74.98 -52.44 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' PRO . 13.4 mttt -38.83 -47.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.558 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -67.34 -52.4 40.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.366 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.579 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 11.1 mttt -53.44 -31.45 45.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.13 -63.07 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -48.07 -28.11 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -82.2 -48.77 10.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.547 ' HA ' ' HB2' ' A' ' 14' ' ' ALA . 1.4 m -53.82 -28.77 37.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -75.51 -49.36 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.584 ' HB2' HD13 ' A' ' 17' ' ' LEU . 23.2 mtm -54.83 -35.1 63.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.3 -50.36 16.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -26.12 68.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -82.47 -40.79 20.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.55 ' CD2' ' O ' ' A' ' 60' ' ' MET . 2.4 m-85 -68.42 -42.26 79.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.495 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 7.1 ptp . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.477 0.179 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.592 ' H ' HD12 ' A' ' 16' ' ' LEU . 85.7 m-20 -81.94 -174.33 4.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -65.93 -54.09 30.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -58.41 -33.68 69.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.592 HD12 ' H ' ' A' ' 13' ' ' ASN . 23.2 mt -68.24 -28.46 67.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.531 HD13 ' HB2' ' A' ' 60' ' ' MET . 17.7 mt -72.12 -49.31 37.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.79 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 11.5 t80 -59.56 -38.6 81.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 1.019 ' HA ' HD22 ' A' ' 42' ' ' LEU . 58.1 m -68.5 -36.55 79.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.336 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -27.58 63.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -85.83 -58.64 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.79 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 50.6 m80 -69.72 -11.59 60.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.56 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -38.61 -70.2 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' LEU . 71.8 p -48.54 -50.44 32.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.492 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.7 OUTLIER -40.38 -70.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.604 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.6 t -46.92 -62.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.02 -36.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -76.69 -63.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -52.36 -20.73 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.547 ' CD2' HD12 ' A' ' 41' ' ' ILE . 24.5 m-70 -139.84 82.2 18.13 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.608 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -18.24 18.81 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -14.76 59.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.629 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -86.17 156.13 20.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.28 -78.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -144.9 -57.02 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -49.79 -42.55 47.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.629 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -76.9 -48.41 8.58 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.521 ' O ' HG11 ' A' ' 26' ' ' VAL . . . -52.3 -42.02 63.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.4 ' HA ' HD12 ' A' ' 42' ' ' LEU . 45.9 m -64.57 -49.14 72.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.54 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -47.2 -45.83 23.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.547 HD12 ' CD2' ' A' ' 30' ' ' HIS . 5.3 mt -62.35 -53.62 45.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.019 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.5 mt -45.83 -41.74 11.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 40' ' ' LYS . . . -47.83 -69.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.488 ' O ' HG22 ' A' ' 48' ' ' VAL . 33.9 t0 -43.54 -55.22 4.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.492 ' HH2' HD12 ' A' ' 25' ' ' LEU . 16.0 m0 -42.0 -51.37 4.47 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 36.6 t-105 -67.2 -44.38 79.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 107.984 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -51.75 -30.03 21.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 44' ' ' ASP . 34.5 m -109.38 54.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.897 HD23 ' HG3' ' A' ' 54' ' ' LYS . 17.5 tp -121.99 152.89 39.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.483 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -88.9 177.09 2.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.07 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -39.74 -44.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -50.38 39.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.897 ' HG3' HD23 ' A' ' 49' ' ' LEU . 12.2 mttt -55.76 -31.34 62.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -67.71 -61.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 57' ' ' TYR . 11.4 pttt -47.31 -30.23 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.415 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 9.1 m-85 -80.1 -49.23 12.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.7 m -54.62 -25.61 27.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -77.8 -43.99 28.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.531 ' HB2' HD13 ' A' ' 17' ' ' LEU . 10.4 mtm -58.45 -39.75 80.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.441 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -72.08 -55.06 8.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.07 -42.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -53.41 11.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.495 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 3.5 m-85 -54.08 -44.97 71.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.0 tttm . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.569 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 6.8 ptp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.496 0.188 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -78.19 -174.92 3.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.534 ' HB1' ' HH2' ' A' ' 46' ' ' TRP . . . -69.36 -21.76 63.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -84.76 -40.2 17.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.58 -13.79 61.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 60' ' ' MET . 35.4 mt -83.87 -52.58 6.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.722 ' CZ ' ' CD2' ' A' ' 22' ' ' HIS . 11.2 t80 -69.67 -15.24 63.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.881 ' HA ' HD22 ' A' ' 42' ' ' LEU . 1.1 m -84.94 -36.48 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.291 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -16.2 55.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.24 -53.56 4.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.722 ' CD2' ' CZ ' ' A' ' 18' ' ' PHE . 12.0 m80 -79.6 -11.39 59.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.602 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.66 -66.32 0.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.251 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 1.6 p -53.12 -46.13 68.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.794 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -45.17 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.605 ' CG1' ' HB1' ' A' ' 38' ' ' ALA . 2.7 t -55.36 -62.59 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.07 -41.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 24' ' ' SER . 1.5 mm100 -70.85 -62.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -54.27 -19.27 5.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.445 ' CE1' HD13 ' A' ' 41' ' ' ILE . 9.0 m-70 -139.66 80.86 20.8 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -42.23 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.46 1.768 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -25.21 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.517 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -66.64 152.43 45.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.355 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 36' ' ' ARG . 1.2 m-20 -116.36 51.32 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 69.47 -65.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' ASP . 2.9 tmt_? -39.99 -38.99 0.78 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.517 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -81.27 -44.48 8.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.46 1.1 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.605 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -55.52 -42.11 74.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.4 m -58.55 -24.65 61.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.12 -21.58 39.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.445 HD13 ' CE1' ' A' ' 30' ' ' HIS . 11.4 mt -86.73 -35.27 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.881 HD22 ' HA ' ' A' ' 19' ' ' CYS . 1.8 mt -65.01 -44.84 87.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -44.09 -67.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.727 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -49.44 -45.96 47.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.794 ' HH2' HD12 ' A' ' 25' ' ' LEU . 7.3 m0 -54.47 -30.35 52.8 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 59.7 t-105 -85.55 -51.28 6.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 107.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.76 -44.91 58.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.727 HG13 ' O ' ' A' ' 44' ' ' ASP . 7.5 m -69.87 -38.29 75.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.631 HD13 ' CE2' ' A' ' 18' ' ' PHE . 13.9 tp -40.34 145.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.492 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -89.67 177.64 2.35 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.2 Cg_endo -75.02 -43.93 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.5 1.789 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -46.41 -39.64 10.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.451 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -74.62 -50.73 16.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.599 ' HG3' HD23 ' A' ' 49' ' ' LEU . 3.7 mttm -51.35 -22.34 2.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -53.23 -68.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 53' ' ' GLU . 6.0 ptpt -49.81 -40.65 42.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.403 ' HA ' ' HE2' ' A' ' 60' ' ' MET . 55.3 m-85 -69.0 -25.52 64.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 54' ' ' LYS . 1.2 m -77.93 -28.29 49.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -85.63 -42.94 13.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.558 ' HB2' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -53.53 -41.9 66.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.15 -43.02 54.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -35.03 62.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -80.87 -46.76 14.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.296 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.569 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 2.9 m-85 -61.48 -37.89 85.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.544 0.211 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.41 ' N ' ' HB2' ' A' ' 16' ' ' LEU . 6.3 t-20 -77.24 169.54 18.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.552 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -49.92 -43.55 49.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -65.6 -38.27 89.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 16' ' ' LEU . 14.4 mt -64.78 -20.99 66.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.571 HD13 ' HB2' ' A' ' 60' ' ' MET . 19.6 mt -80.7 -48.17 12.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.438 ' CE1' HD13 ' A' ' 49' ' ' LEU . 61.8 t80 -66.65 -17.46 64.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.981 ' HA ' HD22 ' A' ' 42' ' ' LEU . 1.8 m -85.22 -45.36 12.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 108.329 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -9.9 59.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -93.64 -55.57 3.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.478 ' O ' ' C ' ' A' ' 23' ' ' ARG . 17.9 m80 -84.75 -10.26 57.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.606 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.518 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -32.67 -72.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.82 -43.61 63.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.999 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.749 HD12 ' CZ3' ' A' ' 45' ' ' TRP . 1.0 OUTLIER -46.55 -60.82 2.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.729 HG23 ' CZ3' ' A' ' 45' ' ' TRP . 1.2 t -52.13 -62.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.668 ' N ' HG12 ' A' ' 26' ' ' VAL . 3.4 mtm180 -38.64 -43.27 0.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -63.88 -55.89 19.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.455 ' OE1' ' CZ2' ' A' ' 45' ' ' TRP . 72.1 mt-10 -67.55 -8.91 37.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.686 ' CD2' HG21 ' A' ' 41' ' ' ILE . 50.0 m-70 -150.12 76.02 8.76 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.585 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -32.14 5.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -14.52 25.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -77.64 155.37 31.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 36' ' ' ARG . 8.6 t0 -118.1 51.47 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 69.12 -66.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -39.97 -42.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.421 ' C ' HD12 ' A' ' 33' ' ' LEU . . . -79.03 -46.51 8.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.414 1.072 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.653 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -46.17 -44.69 16.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.2 m -52.85 -40.82 63.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.357 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -68.91 -19.86 64.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.686 HG21 ' CD2' ' A' ' 30' ' ' HIS . 2.4 mt -85.05 -40.11 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.981 HD22 ' HA ' ' A' ' 19' ' ' CYS . 1.0 OUTLIER -64.3 -44.33 91.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.66 -66.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 50.3 t0 -43.18 -59.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.749 ' CZ3' HD12 ' A' ' 25' ' ' LEU . 43.7 m0 -42.17 -50.15 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 108.051 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.626 ' CE3' HD22 ' A' ' 49' ' ' LEU . 35.5 t-105 -62.59 -51.58 66.75 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 44' ' ' ASP . . . -43.7 -31.92 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -108.77 55.43 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.639 HD23 ' HG3' ' A' ' 54' ' ' LYS . 22.9 tp -117.74 141.78 48.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.456 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -72.54 175.78 2.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.2 Cg_endo -75.02 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' PRO . 12.1 mttt -39.24 -51.38 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -46.93 88.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.639 ' HG3' HD23 ' A' ' 49' ' ' LEU . 14.3 mttt -59.81 -43.27 94.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -61.08 -42.43 98.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -61.31 -49.38 77.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.434 ' HH ' ' HD1' ' A' ' 18' ' ' PHE . 24.7 m-85 -62.31 -46.52 88.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 m -52.01 -20.78 2.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 110.381 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -84.33 -54.19 4.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.571 ' HB2' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -47.31 -40.56 17.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.425 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -69.91 -52.66 22.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.62 -37.95 13.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -51.14 18.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -59.37 -45.92 90.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 tttt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -116.59 80.53 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.739 . . . . 0.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -90.6 -58.41 2.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.27 58.59 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.76 140.83 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 110.08 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 p -94.93 108.4 20.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 110.056 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.26 151.87 0.04 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.82 -59.07 5.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 0.741 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.23 126.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.81 161.5 44.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -89.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.591 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 2.4 ptp -157.93 -172.62 3.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.443 ' HA ' ' HB1' ' A' ' 61' ' ' ALA . 36.2 m-80 -152.58 165.29 35.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.356 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.548 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -47.47 -35.81 9.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.434 ' HA ' ' CE3' ' A' ' 46' ' ' TRP . 11.4 t80 -81.84 -47.3 12.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mt -59.86 -17.92 40.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 14' ' ' ALA . 20.7 mt -79.3 -48.16 14.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.728 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 10.6 t80 -63.76 -25.12 68.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.949 ' HA ' HD22 ' A' ' 42' ' ' LEU . 10.2 t -78.18 -37.44 45.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 108.292 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.78 -12.14 60.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.561 HH21 ' HE1' ' A' ' 60' ' ' MET . 1.5 mtt180 -100.51 -43.69 6.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.728 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 47.1 m80 -89.13 -11.2 44.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.09 -63.17 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.462 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.6 OUTLIER -54.93 -48.92 72.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.964 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.711 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -43.74 -62.48 1.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.682 HG21 ' HG ' ' A' ' 42' ' ' LEU . 4.4 t -56.98 -64.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.414 ' O ' ' CA ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -38.45 -38.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 24' ' ' SER . 8.7 mm-40 -70.15 -58.8 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.526 ' C ' ' CG ' ' A' ' 30' ' ' HIS . 17.2 mm-40 -62.44 -12.97 24.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.526 ' CG ' ' C ' ' A' ' 29' ' ' GLU . 1.8 m-70 -159.07 80.09 2.79 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.594 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.414 ' CA ' ' O ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -75.03 -44.6 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -36.16 60.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' A' ' 30' ' ' HIS . 1.5 mm? -43.69 165.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -112.25 166.04 11.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -46.75 -25.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' ' 34' ' ' ASP . 10.3 mmt85 -87.54 -39.23 15.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.468 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -69.65 -54.23 13.3 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -59.21 -30.34 68.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.3 m -77.9 -19.68 54.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.44 -24.94 36.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.6 mt -82.35 -41.16 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.949 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.8 mt -60.38 -43.3 96.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.99 -65.92 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.561 ' O ' HG22 ' A' ' 48' ' ' VAL . 6.3 t0 -48.98 -54.64 14.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.711 ' HH2' HD12 ' A' ' 25' ' ' LEU . 12.9 m0 -43.51 -40.84 4.11 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.562 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 34.9 t-105 -75.97 -52.41 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.8 -27.78 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 44' ' ' ASP . 24.1 m -109.77 51.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.251 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.688 HD23 ' HG3' ' A' ' 54' ' ' LYS . 21.6 tp -119.97 143.79 47.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.469 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -76.32 176.35 3.42 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.02 -53.1 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.502 1.791 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -39.35 -48.48 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -65.17 -50.1 67.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.326 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.688 ' HG3' HD23 ' A' ' 49' ' ' LEU . 11.9 mttm -56.32 -40.51 74.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -53.08 -67.47 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -46.3 -45.67 17.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.438 ' O ' ' CD1' ' A' ' 17' ' ' LEU . 7.1 m-85 -60.98 -49.98 75.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.513 ' HA ' ' HB2' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -54.3 -41.39 68.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.37 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.14 -46.98 88.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.561 ' HE1' HH21 ' A' ' 21' ' ' ARG . 1.4 mtp -56.19 -42.26 76.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.443 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -72.27 -48.2 44.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -19.1 61.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.52 -40.54 9.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.591 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 2.5 m-85 -70.27 -36.73 74.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -66.71 -59.88 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -41.16 -52.32 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.32 -55.31 9.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 9.1 t80 -59.67 -48.02 83.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -45.91 109.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -143.66 -68.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -93.17 66.58 4.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -134.77 99.84 12.48 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -44.71 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.469 1.773 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.17 78.28 1.67 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -128.77 175.06 8.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -131.26 145.71 52.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 t 179.86 98.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -83.3 157.87 35.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 95.55 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.54 -50.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.002 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.4 m -110.68 107.53 17.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 110.968 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.4 124.35 30.58 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.515 0.773 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -170.44 161.14 7.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.59 169.45 18.6 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.84 -58.76 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 0.801 . . . . 0.0 110.051 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -168.66 -59.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.0 -150.18 1.0 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.01 -65.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.42 96.44 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.96 163.15 17.93 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.07 13.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.034 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.497 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -84.78 129.71 34.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' H ' HD12 ' A' ' 16' ' ' LEU . 85.2 m-20 -82.94 -174.53 5.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -68.78 -46.95 67.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -63.95 -34.31 77.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.45 HD12 ' H ' ' A' ' 13' ' ' ASN . 19.0 mt -67.06 -33.55 75.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.533 HD21 ' CE2' ' A' ' 64' ' ' TYR . 16.8 mt -65.88 -59.62 3.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.781 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 5.7 t80 -53.46 -29.93 38.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.713 ' HA ' HD22 ' A' ' 42' ' ' LEU . 9.4 t -73.81 -44.16 56.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.292 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.8 -9.97 59.08 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -96.21 -54.05 3.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.781 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 53.8 m80 -81.98 -11.85 58.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.57 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.65 -67.94 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 110.32 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.412 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -51.21 -46.49 62.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.738 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -45.72 -68.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.542 HG21 ' HG ' ' A' ' 42' ' ' LEU . 3.1 t -52.89 -62.1 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -38.67 -38.47 0.41 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.412 ' CG ' ' O ' ' A' ' 24' ' ' SER . 2.8 mm100 -72.47 -62.81 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -55.33 -19.05 7.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.523 ' HB3' HD23 ' A' ' 33' ' ' LEU . 3.6 m-70 -141.31 80.9 16.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.611 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.94 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.511 1.795 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -39.92 95.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.523 HD23 ' HB3' ' A' ' 30' ' ' HIS . 1.7 mm? -40.54 157.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 37' ' ' GLY . 21.3 t70 -105.31 162.35 13.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -41.56 -33.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -79.77 -44.21 21.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -62.26 -56.49 21.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.429 1.08 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.34 -51.33 55.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.2 m -58.31 -34.72 70.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -40.6 97.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.424 HD12 ' CG ' ' A' ' 30' ' ' HIS . 4.6 mt -68.51 -42.3 83.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.713 HD22 ' HA ' ' A' ' 19' ' ' CYS . 1.2 mt -60.84 -37.05 80.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.75 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.501 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 7.2 t70 -47.04 -51.32 17.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.738 ' HH2' HD12 ' A' ' 25' ' ' LEU . 23.5 m0 -43.1 -47.48 6.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 107.992 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 36.3 t-105 -71.67 -47.13 56.28 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -49.2 -26.14 2.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 48' ' ' VAL . 21.1 m -113.25 53.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.692 HD23 ' HG3' ' A' ' 54' ' ' LYS . 15.2 tp -123.4 145.6 48.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.426 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -79.56 174.01 6.8 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.426 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.2 Cg_endo -74.96 -44.41 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.511 1.795 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mttp -46.82 -48.31 20.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -64.68 -44.75 89.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.692 ' HG3' HD23 ' A' ' 49' ' ' LEU . 4.8 mttm -57.53 -32.45 67.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' THR . 5.3 tp60 -57.69 -70.91 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -39.81 -44.73 1.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -67.96 -43.4 79.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.044 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 55' ' ' GLN . 12.3 m -60.57 -24.82 65.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.69 -47.33 12.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.46 ' HB2' HD13 ' A' ' 17' ' ' LEU . 7.3 mtm -54.09 -41.92 68.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.497 ' HB1' ' O ' ' A' ' 12' ' ' MET . . . -68.94 -43.81 74.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.03 -48.51 79.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -66.23 -38.5 88.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.533 ' CE2' HD21 ' A' ' 17' ' ' LEU . 1.2 m-85 -65.92 -36.56 83.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -67.65 -66.69 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -41.98 -45.27 3.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.61 -56.45 21.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -53.48 -59.57 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.6 mmt -38.21 104.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.56 -63.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.21 71.04 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -133.85 104.38 11.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 175.58 11.04 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 79.7 -58.36 4.49 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.486 ' CD1' ' N ' ' A' ' 76' ' ' ARG . 4.3 t80 -51.35 155.04 1.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.486 ' N ' ' CD1' ' A' ' 75' ' ' TYR . 1.9 mpt_? -136.65 -69.45 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 95.4 p -175.77 82.28 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 62.4 -145.53 49.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 171.01 19.15 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -146.48 151.67 37.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.7 m -151.02 126.13 9.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.989 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 t -167.44 133.04 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 109.961 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.1 p -178.81 117.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.964 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.43 101.92 0.63 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.552 1.158 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.1 p -144.84 163.57 33.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 110.034 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 m -100.33 -58.59 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.85 -80.98 0.36 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.4 76.0 2.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 174.73 147.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 mtt85 64.74 163.26 0.12 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.453 ' HD3' ' CE2' ' A' ' 68' ' ' PHE . 18.3 Cg_endo -75.01 159.36 41.41 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.591 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 5.0 ptp -86.35 120.06 27.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -77.04 -174.01 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.644 ' HB1' ' HH2' ' A' ' 46' ' ' TRP . . . -67.79 -42.9 80.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.47 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 3.2 t80 -67.86 -37.67 82.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.55 -28.74 69.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.443 HD13 ' HB2' ' A' ' 60' ' ' MET . 18.4 mt -70.36 -57.95 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.745 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 10.5 t80 -51.74 -43.43 62.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.917 ' HA ' HD22 ' A' ' 42' ' ' LEU . 64.4 m -62.78 -38.97 92.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -71.83 -19.91 61.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -90.04 -59.51 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.745 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 39.2 m80 -72.8 -11.09 60.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.582 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -35.91 -66.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 3.9 m -54.6 -46.06 73.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.472 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -46.62 -70.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.649 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.6 t -49.21 -61.85 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.7 -46.09 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.328 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.428 ' CG ' ' O ' ' A' ' 24' ' ' SER . 5.0 mm100 -66.87 -66.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -48.85 -24.09 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.552 ' CE1' HD13 ' A' ' 41' ' ' ILE . 8.7 m-70 -134.39 82.42 46.53 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.616 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.779 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.88 -34.38 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.679 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.4 OUTLIER -58.05 149.14 24.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.06 -81.79 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -145.96 -57.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -37.72 67.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.679 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -63.3 -57.5 14.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.636 ' HB1' HG12 ' A' ' 26' ' ' VAL . . . -55.84 -41.05 73.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.6 m -56.49 -39.46 73.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -64.4 -38.67 91.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.552 HD13 ' CE1' ' A' ' 30' ' ' HIS . 4.7 mt -67.43 -46.99 82.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.917 HD22 ' HA ' ' A' ' 19' ' ' CYS . 1.6 mt -57.9 -32.55 67.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -58.09 -68.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.591 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 14.5 t70 -44.08 -46.75 8.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.502 ' CZ3' ' HB3' ' A' ' 22' ' ' HIS . 18.8 m0 -47.5 -44.17 25.29 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.644 ' HH2' ' HB1' ' A' ' 14' ' ' ALA . 44.9 t-105 -78.03 -46.73 20.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.033 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.591 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -51.76 -22.01 3.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 48' ' ' VAL . 5.3 m -120.63 57.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.741 HD23 ' HG3' ' A' ' 54' ' ' LYS . 13.6 tp -127.74 138.76 52.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -68.95 174.11 3.04 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.428 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.1 Cg_endo -75.06 -43.47 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.436 1.756 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -45.15 -54.82 6.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.488 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -57.98 -48.72 79.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.741 ' HG3' HD23 ' A' ' 49' ' ' LEU . 9.4 mttm -53.68 -38.32 64.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -52.57 -72.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -41.74 -43.99 3.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -62.51 -53.59 52.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -50.66 -39.78 51.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.421 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -62.44 -47.74 82.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.347 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.443 ' HB2' HD13 ' A' ' 17' ' ' LEU . 7.4 mtm -54.19 -42.24 69.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.11 -51.59 17.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.07 -30.28 47.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.82 -47.42 11.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.591 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 2.5 m-85 -61.29 -45.92 92.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.44 -58.78 3.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -43.12 -43.34 4.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -65.69 -57.99 6.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.453 ' CE2' ' HD3' ' A' ' 11' ' ' PRO . 50.0 t80 -40.83 -51.18 3.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.426 ' HA ' ' OD1' ' A' ' 72' ' ' ASN . 4.5 mmt -70.14 81.7 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -107.28 -76.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.5 -60.02 3.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.426 ' OD1' ' HA ' ' A' ' 69' ' ' MET . 0.8 OUTLIER -45.01 104.91 0.41 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 77.97 3.0 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.69 78.74 0.3 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.469 1.105 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.418 ' CD2' ' N ' ' A' ' 76' ' ' ARG . 10.8 t80 -86.2 -59.45 2.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 0.762 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 76' ' ' ARG . 6.1 mmm180 62.37 145.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.24 -64.32 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.95 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.01 93.6 1.74 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -40.21 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.459 1.768 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 t -172.02 132.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 109.995 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.9 t -39.76 128.68 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.026 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.446 ' N ' ' HB2' ' A' ' 47' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -71.74 113.31 8.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 0.724 . . . . 0.0 110.016 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 t -132.82 -58.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.003 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.67 112.3 1.49 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.96 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -50.13 128.67 19.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 0.751 . . . . 0.0 110.041 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 p -62.37 167.65 4.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.33 -126.65 4.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.17 160.75 35.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.3 85.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 179.52 165.62 0.75 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -167.78 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.48 1.779 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.595 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 12.4 ptp -127.15 120.06 27.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -77.6 179.38 6.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -57.23 -41.43 79.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -67.06 -46.65 73.69 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 16' ' ' LEU . 12.6 mt -55.22 -29.56 58.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.505 HD13 ' HB2' ' A' ' 60' ' ' MET . 17.5 mt -70.2 -54.17 13.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.628 ' HE2' HD13 ' A' ' 49' ' ' LEU . 9.5 t80 -54.25 -44.05 71.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.952 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.977 ' HA ' HD22 ' A' ' 42' ' ' LEU . 43.7 t -63.95 -36.01 82.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 108.232 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.97 -30.9 67.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -82.22 -59.18 2.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.6 ' HB2' HD23 ' A' ' 42' ' ' LEU . 44.6 m80 -70.77 -11.09 60.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.579 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.11 -68.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.432 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -54.54 -48.4 72.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.456 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -42.04 -70.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.795 HG12 ' HB1' ' A' ' 38' ' ' ALA . 2.2 t -50.52 -63.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.413 ' N ' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -38.23 -40.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.432 ' CG ' ' O ' ' A' ' 24' ' ' SER . 3.1 mm100 -71.65 -65.22 0.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -51.68 -23.16 4.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.539 ' CE1' HD13 ' A' ' 41' ' ' ILE . 6.0 m-70 -135.89 81.62 39.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.616 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -53.53 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.36 -31.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.652 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.6 OUTLIER -59.62 148.66 32.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' ARG . 49.9 m-20 -110.16 51.52 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 69.0 -65.94 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' ASP . 3.5 tpt180 -40.19 -44.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.652 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -76.53 -43.43 19.34 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.12 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.795 ' HB1' HG12 ' A' ' 26' ' ' VAL . . . -58.27 -44.92 88.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 0.802 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m -49.79 -45.36 49.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -57.31 -37.22 72.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.539 HD13 ' CE1' ' A' ' 30' ' ' HIS . 5.9 mt -66.89 -49.49 73.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.977 HD22 ' HA ' ' A' ' 19' ' ' CYS . 2.1 mt -53.9 -33.26 56.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 40' ' ' LYS . . . -59.32 -69.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.583 ' O ' HG22 ' A' ' 48' ' ' VAL . 7.4 t0 -45.42 -38.96 6.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.456 ' HH2' HD12 ' A' ' 25' ' ' LEU . 11.8 m0 -56.27 -45.44 80.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 107.983 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.571 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 47.6 t-105 -75.26 -47.1 29.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 107.982 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.479 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -48.95 -24.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 48' ' ' VAL . 4.5 m -119.85 60.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.628 HD13 ' HE2' ' A' ' 18' ' ' PHE . 27.5 tp -127.46 151.17 49.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.78 172.59 9.13 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.93 1.8 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -49.26 -48.09 46.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.604 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -65.76 -43.92 87.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.247 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 3.1 mttm -59.1 -22.77 61.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.342 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -61.46 -73.78 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.2 -35.62 12.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.433 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 4.3 m-85 -68.33 -50.06 56.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.6 -39.38 76.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.46 -53.36 29.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.505 ' HB2' HD13 ' A' ' 17' ' ' LEU . 22.0 mtm -46.54 -46.15 19.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.444 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -66.24 -53.21 39.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 109.245 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -39.7 -47.13 1.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.07 -54.14 20.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.595 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 7.9 m-85 -52.68 -45.13 66.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -61.75 -61.81 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -43.34 -52.71 5.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.88 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -45.72 -45.66 14.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 49.8 mmm -62.49 95.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.0 -61.98 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.9 63.35 6.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -161.92 95.84 1.26 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 73.87 4.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.443 1.759 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 76' ' ' ARG . . . 111.26 -91.61 0.62 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.512 ' CG ' ' N ' ' A' ' 76' ' ' ARG . 24.5 t80 54.35 -86.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 0.776 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.512 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 1.9 mpt_? 70.15 -68.83 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 75' ' ' TYR . 1.9 t 82.48 -57.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.138 . . . . 0.0 110.027 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.2 168.76 0.68 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -53.69 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.476 1.777 . . . . 0.0 111.038 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 55.14 83.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.6 t 41.09 88.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.12 131.84 11.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 109.956 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 m -141.39 119.17 11.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.039 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.94 -114.35 1.31 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 p -98.21 111.82 24.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 p -104.35 139.49 39.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.015 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.57 -171.75 22.8 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.92 173.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.2 165.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 65.65 164.92 0.12 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -173.7 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.414 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 11.8 ptp -121.27 141.03 51.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 6.0 p30 -98.02 179.66 4.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.494 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -61.01 -60.92 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -47.98 -25.6 1.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 16' ' ' LEU . 6.4 mt -76.64 -36.65 57.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.557 HD21 ' CD2' ' A' ' 64' ' ' TYR . 11.3 mt -64.65 -57.33 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.794 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 6.3 t80 -51.84 -35.91 46.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.888 ' HA ' HD22 ' A' ' 42' ' ' LEU . 80.4 m -69.82 -36.53 75.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 108.285 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -75.23 -10.32 59.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.253 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -99.26 -45.04 6.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.794 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 43.9 m80 -89.68 -11.33 42.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.61 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.47 -65.63 0.3 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 8.2 t -52.03 -48.73 64.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.629 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -45.75 -63.84 0.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.5 HG21 ' HG ' ' A' ' 42' ' ' LEU . 3.5 t -55.69 -61.61 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.31 -29.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 24' ' ' SER . 2.3 mm100 -83.82 -61.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -57.58 -16.63 10.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.569 ' CD2' HG21 ' A' ' 41' ' ' ILE . 21.5 m-70 -141.2 79.16 18.1 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 0.0 109.573 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -41.29 0.67 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.496 1.787 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -20.56 3.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -69.8 153.2 43.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 36' ' ' ARG . 7.3 m-20 -120.35 53.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.435 ' OD1' ' NH2' ' A' ' 23' ' ' ARG . 43.7 t30 69.03 -66.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' ASP . 2.3 mtt180 -39.26 -40.76 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.528 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -80.95 -47.59 6.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -45.87 -43.77 13.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.9 m -57.54 -42.13 82.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.445 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -20.94 65.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.569 HG21 ' CD2' ' A' ' 30' ' ' HIS . 1.6 mm -83.84 -36.44 12.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.888 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.3 mt -69.69 -41.42 75.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.11 -47.6 23.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -60.21 -61.43 2.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.629 ' HH2' HD12 ' A' ' 25' ' ' LEU . 29.0 m0 -42.3 -50.51 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 107.957 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.572 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 29.3 t-105 -62.14 -51.96 65.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.014 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.08 -33.02 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.4 m -104.36 51.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.728 HD23 ' HG3' ' A' ' 54' ' ' LYS . 20.6 tp -118.22 139.71 50.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.467 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -71.01 176.42 2.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.0 -54.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' PRO . 8.3 mttm -39.77 -52.21 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -49.17 78.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.728 ' HG3' HD23 ' A' ' 49' ' ' LEU . 16.9 mttt -56.62 -46.25 81.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.82 -37.57 88.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -59.44 -56.62 19.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -55.09 -42.34 72.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -52.72 -29.18 25.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.431 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -78.31 -32.07 49.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.574 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 2.1 mtm -75.36 -26.48 58.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.45 -58.3 2.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.21 -28.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -81.04 -43.22 19.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 60' ' ' MET . 2.6 m-85 -70.07 -38.97 75.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 111.041 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -66.75 -61.46 1.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -41.96 -47.09 4.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.15 -62.54 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -44.82 -52.15 8.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 11.8 mmm -54.34 104.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.09 -61.02 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -113.66 66.34 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -125.18 123.65 25.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 164.66 32.76 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.546 1.814 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 58.94 61.56 7.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -163.11 166.15 23.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.751 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 78' ' ' GLY . 0.0 OUTLIER 172.87 -33.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.2 t 67.45 -69.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.049 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 76' ' ' ARG . . . -41.76 101.25 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -172.88 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.783 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.82 141.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.7 p -154.0 90.73 1.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.8 p -88.21 128.22 35.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.42 117.55 25.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.59 61.55 0.44 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -112.54 132.56 55.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.743 . . . . 0.0 110.033 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.91 92.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.961 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.86 -135.84 4.04 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.453 1.095 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -156.79 101.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 0.741 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.551 ' O ' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER 173.57 -55.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -72.58 154.39 91.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 177.82 8.06 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.465 1.771 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.562 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 4.4 ptp -110.4 120.95 44.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -75.67 -178.26 4.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.616 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -63.4 -28.6 70.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -78.57 -43.92 25.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mt -61.31 -15.41 35.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.616 HD12 ' HA ' ' A' ' 14' ' ' ALA . 38.5 mt -81.14 -52.74 7.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 57' ' ' TYR . 6.5 t80 -59.6 -29.44 67.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.983 ' HA ' HD22 ' A' ' 42' ' ' LEU . 15.4 m -71.93 -44.57 63.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 108.304 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.63 -9.72 58.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.79 -49.93 6.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.467 ' O ' ' C ' ' A' ' 23' ' ' ARG . 16.8 m80 -93.57 -10.05 36.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -33.64 -64.78 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.476 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER -53.33 -45.28 69.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.981 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.502 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -47.78 -62.45 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 30' ' ' HIS . 3.3 t -58.48 -60.88 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -38.6 -33.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.252 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 24' ' ' SER . 0.9 OUTLIER -75.76 -58.27 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -63.67 -12.25 32.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 26' ' ' VAL . 13.8 m-70 -143.19 74.99 17.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -34.24 3.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -30.89 65.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -62.12 152.42 32.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.23 -80.91 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 36' ' ' ARG . 3.9 p30 -151.55 -51.61 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.422 ' N ' ' OD1' ' A' ' 35' ' ' ASN . 3.5 ttp85 -64.15 -29.92 71.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.422 ' C ' HD12 ' A' ' 33' ' ' LEU . . . -70.12 -50.05 30.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.625 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -55.27 -19.19 7.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 0.787 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.9 m -84.73 -13.09 52.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.489 1.118 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.17 -33.46 38.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.25 -43.0 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.983 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.5 mt -58.41 -47.07 85.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.74 -58.14 3.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -58.25 -49.11 78.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.502 ' HH2' HD12 ' A' ' 25' ' ' LEU . 12.8 m0 -49.91 -33.61 17.88 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.563 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 46.2 t-105 -82.26 -50.14 9.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 108.033 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.2 -26.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 48' ' ' VAL . 11.3 m -114.14 55.82 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD23 ' HG3' ' A' ' 54' ' ' LYS . 25.7 tp -118.96 154.24 33.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.475 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -88.83 176.74 2.99 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -74.95 -50.47 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -40.77 -47.75 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.476 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -65.85 -49.86 66.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 14.5 mttt -56.54 -35.87 68.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -59.61 -64.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -47.62 -45.11 27.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.529 ' CZ ' ' HB2' ' A' ' 18' ' ' PHE . 14.0 m-85 -59.84 -45.63 91.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.1 m -58.22 -39.54 79.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.421 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -65.75 -46.98 76.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.454 ' HB2' HD13 ' A' ' 17' ' ' LEU . 4.1 mtp -61.13 -40.87 95.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.538 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -67.34 -52.71 36.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -27.96 51.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -81.91 -46.76 13.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.241 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.562 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 2.2 m-85 -64.74 -41.09 96.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 111.045 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -61.41 -58.91 6.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -41.14 -53.2 3.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.088 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -49.4 -62.87 1.31 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.551 ' CZ ' ' O ' ' A' ' 9' ' ' ARG . 4.4 t80 -47.95 -39.02 18.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 18.9 mmt -88.68 -174.03 4.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? 78.91 -55.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.41 -58.32 7.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -45.51 146.75 1.63 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 79.27 2.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 111.049 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 51.08 87.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.442 1.089 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -120.99 -72.22 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 111.004 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 63.82 142.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 p -114.22 -61.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -135.43 78.21 0.35 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.451 1.094 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 177.73 8.19 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.472 1.775 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.0 m 57.93 98.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.32 109.75 6.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.998 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -71.05 160.61 32.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 110.019 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.4 p -41.28 -58.59 1.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.972 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.02 105.08 0.31 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.21 101.82 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.8 t -178.64 158.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.471 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 84.27 162.98 35.21 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.094 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 70.11 -68.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.781 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.32 86.5 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -44.27 156.66 0.32 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.319 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 161.99 37.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.435 1.755 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.544 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -81.33 134.84 35.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -91.75 -173.84 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.607 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -64.33 -41.4 96.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -63.22 -51.13 67.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mt -50.31 -35.68 28.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.513 HD21 ' CE2' ' A' ' 64' ' ' TYR . 11.6 mt -64.73 -56.73 11.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.788 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 4.6 t80 -54.08 -36.7 63.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.773 ' SG ' HD13 ' A' ' 42' ' ' LEU . 48.6 t -68.58 -34.69 76.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 108.322 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -76.31 -9.8 58.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -95.57 -50.17 5.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.788 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 38.9 m80 -86.12 -11.33 52.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 0.0 109.566 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.83 -67.26 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 19.9 p -52.15 -41.95 62.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.987 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.603 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -50.34 -68.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.525 HG21 ' HG ' ' A' ' 42' ' ' LEU . 3.2 t -54.14 -60.11 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.0 -45.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 24' ' ' SER . 5.8 mm100 -65.19 -66.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -50.67 -25.41 4.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.631 ' CE1' ' CD1' ' A' ' 41' ' ' ILE . 3.6 m-70 -134.92 82.43 43.28 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.573 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -38.95 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -40.52 87.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.127 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.527 HD23 ' HB3' ' A' ' 30' ' ' HIS . 2.0 mm? -40.62 156.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -106.22 161.12 14.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -41.43 -33.16 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.35 -44.58 21.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.238 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -62.45 -56.74 19.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -50.35 -48.43 55.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.2 m -53.3 -42.46 66.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -53.67 -49.81 67.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.631 ' CD1' ' CE1' ' A' ' 30' ' ' HIS . 4.9 mt -59.9 -48.1 89.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.773 HD13 ' SG ' ' A' ' 19' ' ' CYS . 2.1 mt -55.56 -45.0 77.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 40' ' ' LYS . . . -45.86 -60.77 2.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -50.37 -56.99 9.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.603 ' HH2' HD12 ' A' ' 25' ' ' LEU . 26.0 m0 -41.92 -40.67 2.23 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.798 ' CE3' HD22 ' A' ' 49' ' ' LEU . 51.8 t-105 -75.61 -50.88 14.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 108.033 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.43 -27.18 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 48' ' ' VAL . 11.4 m -113.47 54.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.832 HD23 ' HG3' ' A' ' 54' ' ' LYS . 19.8 tp -117.99 145.24 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.487 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -79.57 177.51 2.87 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.4 Cg_endo -74.94 -51.72 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.54 1.811 . . . . 0.0 111.047 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.39 -48.9 2.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.623 ' HG2' HD11 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -64.23 -51.53 63.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.832 ' HG3' HD23 ' A' ' 49' ' ' LEU . 10.4 mttm -54.09 -36.15 62.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -60.41 -69.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -41.44 -45.86 3.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.607 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 16.8 m-85 -65.06 -42.77 93.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -57.67 -28.47 63.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.426 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -79.27 -54.41 5.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.467 ' HB2' HD13 ' A' ' 17' ' ' LEU . 9.9 mtm -47.18 -47.72 23.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.544 ' HB1' ' O ' ' A' ' 12' ' ' MET . . . -67.73 -46.77 71.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -49.42 -45.49 46.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -68.82 -46.74 67.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.513 ' CE2' HD21 ' A' ' 17' ' ' LEU . 5.1 m-85 -57.39 -47.38 81.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -58.55 -62.31 1.95 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -41.95 -49.14 4.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.91 -59.73 4.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -52.04 -57.12 10.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 111.052 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.402 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 4.3 mmt -38.21 -51.65 1.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -42.72 -55.07 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 72' ' ' ASN . . . -47.87 -61.12 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 71' ' ' ALA . 1.2 m-80 -40.43 100.74 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 75.29 3.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 161.08 57.51 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.484 ' CE1' ' HB2' ' A' ' 77' ' ' SER . 11.3 t80 -173.11 149.54 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 0.755 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.6 mmm-85 -148.03 -48.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.484 ' HB2' ' CE1' ' A' ' 75' ' ' TYR . 0.3 OUTLIER 52.13 93.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.017 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.64 76.67 0.33 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 94.7 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.468 1.772 . . . . 0.0 110.994 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 49.17 80.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.8 p -172.1 144.52 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.11 125.07 3.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 0.751 . . . . 0.0 109.972 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.85 -169.97 1.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.034 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.11 158.85 13.44 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m 65.17 93.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.62 -66.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.6 92.93 0.58 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.28 -70.09 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -112.75 -56.1 2.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 ptp85 -47.74 156.32 0.7 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 172.31 16.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.637 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -79.79 138.75 37.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -93.0 -172.0 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.563 ' HB1' ' HB3' ' A' ' 57' ' ' TYR . . . -69.83 -50.39 43.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CE1' ' SG ' ' A' ' 19' ' ' CYS . 7.7 t80 -57.63 -41.55 81.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 mt -59.53 -36.12 75.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.532 HD13 ' HB2' ' A' ' 60' ' ' MET . 12.0 mt -64.4 -52.28 59.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.809 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 4.8 t80 -54.95 -38.46 67.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.912 ' HA ' HD22 ' A' ' 42' ' ' LEU . 60.4 m -68.2 -38.96 82.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.276 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -19.26 63.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.56 -56.5 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.809 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 38.2 m80 -76.02 -10.99 59.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.593 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.545 ' CZ ' ' NH1' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -36.33 -69.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.76 -46.2 40.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.739 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -47.0 -68.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.748 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.7 t -50.82 -59.18 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.545 ' NH1' ' CZ ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -41.17 -42.43 2.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.167 . . . . 0.0 110.338 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -67.77 -63.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.336 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -54.98 -19.69 7.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.531 ' CG ' HD12 ' A' ' 41' ' ' ILE . 10.0 m-70 -141.42 81.41 15.41 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.587 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -49.75 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -45.7 -26.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.639 HD12 ' HA3' ' A' ' 37' ' ' GLY . 1.0 OUTLIER -64.52 146.15 55.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.14 -87.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -135.96 -64.24 0.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -52.86 -40.23 63.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.639 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -59.66 -56.11 26.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -54.46 -47.52 72.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 0.787 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.1 m -61.77 -18.76 61.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.52 -34.96 53.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.531 HD12 ' CG ' ' A' ' 30' ' ' HIS . 7.8 mt -77.7 -49.01 22.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.912 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.1 mt -46.5 -54.06 10.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 44' ' ' ASP . . . -40.44 -68.52 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 28.5 t0 -39.84 -60.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.739 ' HH2' HD12 ' A' ' 25' ' ' LEU . 24.5 m0 -42.28 -56.56 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.572 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 21.0 t-105 -55.71 -51.74 66.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 108.04 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 44' ' ' ASP . . . -44.21 -29.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' A' ' 45' ' ' TRP . 27.2 m -111.4 55.82 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.237 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.69 HD21 ' HB3' ' A' ' 53' ' ' GLU . 22.6 tp -120.6 154.49 35.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.439 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -82.3 174.75 5.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.4 Cg_endo -74.94 -51.23 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.444 1.76 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -39.66 -48.9 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.69 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -64.06 -48.58 75.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.572 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 8.0 mttt -56.75 -29.45 62.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.75 -62.46 1.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 pttt -46.51 -31.19 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.563 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 11.8 m-85 -80.81 -43.71 19.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 m -58.13 -28.36 64.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.381 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -76.31 -49.0 18.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.532 ' HB2' HD13 ' A' ' 17' ' ' LEU . 21.8 mtm -55.37 -45.97 76.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.637 ' HB1' ' O ' ' A' ' 12' ' ' MET . . . -66.44 -45.22 80.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -51.08 65.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.54 -40.37 95.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.461 ' CE2' HD21 ' A' ' 17' ' ' LEU . 1.9 m-85 -62.9 -41.41 99.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -62.2 -63.21 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.84 -53.7 7.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.18 -60.64 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -50.03 -54.61 19.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.2 mmm -46.01 101.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.65 -63.76 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -97.63 65.03 1.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -120.18 140.84 30.62 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -53.03 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.516 1.798 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.21 57.61 2.79 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.48 ' CD1' ' C ' ' A' ' 75' ' ' TYR . 2.7 t80 -173.18 135.61 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 78' ' ' GLY . 25.4 mmt85 -139.24 85.65 2.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.1 t 64.44 -76.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 76' ' ' ARG . . . 152.89 171.31 20.15 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.43 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.486 1.782 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 p -103.34 167.67 9.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.045 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 49.29 92.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.038 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 t -69.22 -58.58 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.787 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 p -73.09 124.69 26.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.7 115.26 0.37 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.447 1.092 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 48.48 83.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.033 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.0 119.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.64 -127.1 9.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.32 75.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 0.76 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.07 -59.43 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.45 170.36 12.73 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -76.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.446 1.761 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.571 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 6.4 ptp -173.34 168.98 4.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.546 HD22 HD12 ' A' ' 16' ' ' LEU . 36.7 m-80 -123.17 -170.05 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -74.92 -40.32 60.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -62.62 -51.22 68.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.546 HD12 HD22 ' A' ' 13' ' ' ASN . 16.1 mt -50.81 -34.15 26.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.499 HD13 ' HB2' ' A' ' 60' ' ' MET . 32.7 mt -67.79 -39.72 84.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.688 ' CD2' HD22 ' A' ' 49' ' ' LEU . 19.2 t80 -73.03 -30.33 63.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.907 ' HA ' HD22 ' A' ' 42' ' ' LEU . 1.8 p -76.56 -29.07 56.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 108.326 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.05 -24.0 43.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.01 -57.85 2.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.595 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 29.7 m80 -72.61 -10.91 60.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.579 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -35.81 -71.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.477 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -52.22 -46.1 65.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.779 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -45.7 -62.68 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.659 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.9 t -57.16 -63.17 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.09 -29.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.477 ' CG ' ' O ' ' A' ' 24' ' ' SER . 3.3 mm100 -82.5 -58.72 2.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.243 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -61.42 -13.57 21.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.504 ' CD2' HG21 ' A' ' 41' ' ' ILE . 17.5 m-70 -141.86 76.26 20.13 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.588 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -40.25 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -25.24 7.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.647 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -67.91 151.55 46.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -93.1 -66.51 0.92 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -162.78 -58.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -54.86 -31.6 59.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.291 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.647 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -74.55 -51.98 7.78 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.34 -40.46 59.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.764 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.2 m -64.45 -38.73 92.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -24.1 66.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.504 HG21 ' CD2' ' A' ' 30' ' ' HIS . 1.3 mm -80.89 -47.23 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.907 HD22 ' HA ' ' A' ' 19' ' ' CYS . 2.6 mt -57.22 -32.99 67.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -56.88 -68.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.44 ' O ' HG22 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -43.86 -54.3 5.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.779 ' HH2' HD12 ' A' ' 25' ' ' LEU . 13.3 m0 -44.83 -41.55 7.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CH2' ' HG2' ' A' ' 54' ' ' LYS . 51.7 t-105 -75.38 -50.76 14.89 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.01 -24.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 48' ' ' VAL . 5.3 m -119.99 60.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.688 HD22 ' CD2' ' A' ' 18' ' ' PHE . 46.1 tp -126.85 139.96 52.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.7 OUTLIER -63.99 173.01 1.54 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -74.95 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.799 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -38.85 -52.64 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.555 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -61.39 -52.3 65.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.352 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.573 ' HG2' ' CH2' ' A' ' 46' ' ' TRP . 12.0 mttm -53.56 -42.73 67.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -51.67 -68.72 0.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -46.25 -45.4 17.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -58.81 -52.84 64.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -54.98 -32.77 61.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.371 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -69.23 -38.09 78.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.585 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 11.4 mtm -64.73 -37.0 86.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.58 -46.01 34.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -46.55 66.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -67.77 -43.85 78.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CD2' ' O ' ' A' ' 60' ' ' MET . 2.0 m-85 -62.45 -51.1 68.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.19 -63.33 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.54 -58.31 1.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.39 -63.52 0.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -44.19 -55.01 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.6 mmm -68.27 81.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -131.42 10.81 4.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.58 51.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.58 ' O ' ' CD1' ' A' ' 75' ' ' TYR . 5.7 m-80 -142.41 121.91 7.88 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 153.21 41.35 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.523 1.802 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 40.44 78.8 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 72' ' ' ASN . 4.6 p90 -132.99 -43.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.404 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 0.3 OUTLIER 62.75 91.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.3 p -89.33 138.51 31.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.95 114.85 0.61 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.73 5.28 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.529 1.805 . . . . 0.0 110.999 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 90.3 p -110.28 169.08 8.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.3 t -132.36 159.13 40.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 3' ' ' SER . 28.4 p 51.27 92.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.773 . . . . 0.0 109.984 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 2' ' ' SER . 1.6 p 164.51 -57.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.92 94.26 0.9 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.0 92.88 8.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.97 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.54 85.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.04 -77.62 0.11 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.448 1.093 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -173.56 83.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.98 45.11 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -177.51 156.03 1.15 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.299 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -61.58 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.462 ' SD ' ' CG ' ' A' ' 64' ' ' TYR . 7.4 ptp -177.86 -175.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.41 ' ND2' HD12 ' A' ' 16' ' ' LEU . 6.9 p30 -148.74 -173.8 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -64.36 -64.2 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -46.3 -40.4 11.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.635 HD22 ' NZ ' ' A' ' 20' ' ' LYS . 2.8 mt -61.52 -38.64 88.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.544 HD21 ' CE2' ' A' ' 64' ' ' TYR . 14.3 mt -63.42 -42.06 98.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.652 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 32.8 t80 -66.45 -34.43 77.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.961 ' HA ' HD22 ' A' ' 42' ' ' LEU . 97.9 m -77.08 -29.05 54.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 108.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.635 ' NZ ' HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -76.43 -22.74 54.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.36 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -94.06 -56.72 2.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.652 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 54.4 m80 -70.48 -11.58 61.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.641 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -39.31 -71.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.244 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -47.66 -48.42 28.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 109.954 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.454 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.8 OUTLIER -42.94 -66.69 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.635 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.7 t -52.89 -61.43 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.78 -44.38 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.102 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -66.8 -62.65 1.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -54.53 -19.0 5.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.594 ' CE1' HD13 ' A' ' 41' ' ' ILE . 7.7 m-70 -141.6 81.53 15.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.64 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -36.24 2.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -21.76 61.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.263 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -73.51 153.63 40.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.2 -75.73 0.56 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -146.44 -68.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.7 mmm-85 -46.67 -42.63 16.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.533 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -60.47 -54.41 37.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.634 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -60.27 -37.99 82.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 0.806 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.8 m -57.22 -41.48 79.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.398 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -34.73 78.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.594 HD13 ' CE1' ' A' ' 30' ' ' HIS . 5.7 mt -69.67 -43.95 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.961 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.1 mt -59.81 -40.96 90.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -46.89 -70.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.654 ' O ' HG22 ' A' ' 48' ' ' VAL . 21.3 t70 -42.81 -55.67 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.454 ' HH2' HD12 ' A' ' 25' ' ' LEU . 17.7 m0 -42.63 -44.5 4.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 108.037 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.571 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 56.7 t-105 -73.72 -48.18 33.89 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -52.35 -24.89 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 44' ' ' ASP . 28.4 m -115.09 55.91 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.881 HD23 ' HG3' ' A' ' 54' ' ' LYS . 22.1 tp -126.52 149.94 49.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.472 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -82.77 176.52 3.74 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.02 -53.49 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 51' ' ' PRO . 5.1 mtmt -39.84 -46.58 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.401 ' CG ' HD11 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -67.81 -50.93 54.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.881 ' HG3' HD23 ' A' ' 49' ' ' LEU . 9.4 mttm -55.19 -36.43 65.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.405 ' C ' ' N ' ' A' ' 57' ' ' TYR . 2.8 tp60 -63.0 -65.83 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 57' ' ' TYR . 7.1 pttt -42.18 -29.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.41 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 7.5 m-85 -82.55 -51.38 7.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.492 ' HA ' ' HB2' ' A' ' 14' ' ' ALA . 1.7 m -52.11 -26.22 10.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -77.21 -48.98 16.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.551 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 14.6 mtm -52.92 -38.97 62.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.454 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -72.44 -45.67 58.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -48.96 -50.94 33.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.89 -45.28 90.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.551 ' CD2' ' O ' ' A' ' 60' ' ' MET . 3.3 m-85 -60.12 -47.76 84.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -59.14 -63.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -40.53 -50.75 2.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -51.04 -61.35 2.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -53.25 -55.54 23.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.525 ' SD ' ' CD1' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -38.21 107.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.11 -61.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.18 67.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -136.4 125.16 15.38 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 163.5 35.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 59.59 54.56 36.69 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.525 ' CD1' ' SD ' ' A' ' 69' ' ' MET . 9.2 t80 -162.59 132.59 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.73 155.22 48.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.7 p -121.91 135.17 54.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.67 155.19 11.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.18 37.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.33 142.9 26.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.021 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 t -106.86 137.21 45.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.977 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.152 . . . . 0.0 110.974 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.06 106.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.017 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 t -105.78 12.34 30.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.15 92.28 1.09 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.88 130.32 11.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 0.803 . . . . 0.0 110.033 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p 178.08 167.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.43 -56.24 0.66 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.84 83.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.772 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.92 82.74 1.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.86 156.33 3.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 134.74 18.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.593 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 7.5 ptp -48.64 109.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.486 ' H ' HD12 ' A' ' 16' ' ' LEU . 16.0 t30 -74.13 -179.55 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.59 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -59.53 -43.89 93.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.525 ' HA ' ' CE3' ' A' ' 46' ' ' TRP . 3.7 t80 -66.9 -43.67 82.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.486 HD12 ' H ' ' A' ' 13' ' ' ASN . 28.2 mt -59.11 -27.15 65.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 14' ' ' ALA . 20.5 mt -71.78 -56.81 5.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.778 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 3.9 t80 -59.81 -27.27 66.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.911 ' SG ' HD13 ' A' ' 42' ' ' LEU . 17.4 t -77.97 -35.94 49.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 108.33 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.09 -17.69 60.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -90.34 -52.39 4.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.259 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.778 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 60.7 m80 -80.49 -11.26 59.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.606 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.59 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -37.73 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.42 -33.74 55.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.587 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -58.12 -67.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.582 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.4 t -48.76 -48.83 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.72 -48.91 40.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -61.78 -58.3 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -60.42 -14.64 20.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.526 ' CE1' HD13 ' A' ' 41' ' ' ILE . 44.5 m-70 -139.96 76.37 28.17 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.596 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.84 13.4 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.455 1.766 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.89 -18.09 64.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.593 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -79.92 156.33 27.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -96.95 -57.96 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -176.45 -47.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.5 mmm-85 -62.2 -24.52 67.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.535 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -84.51 -46.41 5.79 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.796 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -56.06 -18.96 11.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.3 m -83.04 -23.92 33.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -83.29 -16.61 45.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.526 HD13 ' CE1' ' A' ' 30' ' ' HIS . 11.2 mt -93.4 -27.98 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.368 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.911 HD13 ' SG ' ' A' ' 19' ' ' CYS . 3.0 mt -74.93 -38.6 61.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -50.51 -67.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -43.75 -55.1 4.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.587 ' HH2' HD12 ' A' ' 25' ' ' LEU . 13.3 m0 -43.47 -40.45 3.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 107.976 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 46.6 t-105 -77.72 -50.94 11.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.017 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -44.58 -27.95 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 48' ' ' VAL . 6.0 m -111.69 55.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.554 HD23 ' HG3' ' A' ' 54' ' ' LYS . 18.5 tp -125.39 127.62 46.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.438 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -61.79 175.18 0.56 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.343 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.438 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.4 Cg_endo -75.0 -49.64 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -39.91 -51.43 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -49.49 75.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.576 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 7.2 mttm -54.49 -42.49 70.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -47.7 -65.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 57' ' ' TYR . 5.0 pttt -46.75 -50.88 17.43 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 18' ' ' PHE . 16.9 m-85 -57.32 -46.64 83.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.1 m -52.94 -41.55 64.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -60.99 -50.22 74.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.5 mtp -54.63 -41.55 70.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.43 -55.98 6.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.94 -37.2 6.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.86 -51.51 11.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.593 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 1.4 m-85 -57.13 -41.49 79.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.048 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -62.57 -67.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -42.99 -47.06 5.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.72 -52.84 63.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -57.27 -52.82 63.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.41 ' HA ' ' OD1' ' A' ' 72' ' ' ASN . 0.6 OUTLIER -46.29 110.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.62 -52.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.47 60.56 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.41 ' OD1' ' HA ' ' A' ' 69' ' ' MET . 6.7 m120 -131.13 102.05 16.06 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 86.59 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 139.46 53.65 0.05 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -152.38 137.2 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 110.954 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.478 ' N ' ' CD1' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -125.57 158.16 35.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 110.242 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.2 t -107.92 148.77 29.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.23 -165.95 23.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 158.68 42.1 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.502 1.791 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.4 p -143.65 149.4 37.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.02 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.9 m 63.59 135.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.972 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 O-C-N 124.488 1.117 . . . . 0.0 111.039 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -140.13 149.49 43.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 109.959 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.71 128.19 52.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.2 108.46 1.03 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.39 141.84 4.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.763 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -76.74 145.05 38.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.87 146.44 12.4 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 62.68 171.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.19 114.89 14.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 mtt-85 -162.71 169.71 8.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.471 ' CB ' ' HA ' ' A' ' 65' ' ' LYS . 18.2 Cg_endo -75.04 149.37 36.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.678 ' HA ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -50.31 142.03 10.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 4.1 p30 -100.38 -176.74 3.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.625 ' HB1' ' HH2' ' A' ' 46' ' ' TRP . . . -64.05 -44.74 91.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.32 -33.08 70.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.958 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 12' ' ' MET . 10.9 mt -67.76 -38.44 83.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.565 HD21 ' CE2' ' A' ' 64' ' ' TYR . 18.0 mt -62.6 -62.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.761 ' CZ ' ' CE1' ' A' ' 22' ' ' HIS . 9.5 t80 -53.02 -33.72 53.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.663 ' HA ' HD22 ' A' ' 42' ' ' LEU . 5.7 t -72.4 -36.08 68.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 108.317 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -75.44 -15.96 60.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.83 -46.82 8.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 110.296 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.761 ' CE1' ' CZ ' ' A' ' 18' ' ' PHE . 50.6 m80 -89.1 -11.42 44.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.621 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.64 -66.72 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.448 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -54.38 -42.27 70.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.991 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.66 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -52.62 -67.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.719 HG21 ' HG ' ' A' ' 42' ' ' LEU . 3.2 t -50.67 -60.61 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -38.79 -44.69 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 24' ' ' SER . 3.3 mm100 -68.03 -65.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -50.11 -22.66 1.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.477 ' CE1' HD13 ' A' ' 41' ' ' ILE . 8.5 m-70 -134.26 81.41 50.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.612 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.426 ' O ' ' N ' ' A' ' 33' ' ' LEU . 18.3 Cg_endo -75.01 -58.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.806 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.84 -30.95 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.733 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -58.73 148.05 30.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 36' ' ' ARG . 1.4 t70 -108.55 51.26 0.75 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 m120 68.9 -66.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' ASP . 1.2 ttm180 -39.32 -45.58 1.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.733 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -70.01 -44.53 60.89 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.566 ' HB1' HG12 ' A' ' 26' ' ' VAL . . . -56.83 -41.85 78.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.2 m -51.93 -44.06 63.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.445 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.6 mmtp -62.9 -47.89 81.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.477 HD13 ' CE1' ' A' ' 30' ' ' HIS . 8.5 mt -57.78 -43.8 84.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.719 ' HG ' HG21 ' A' ' 26' ' ' VAL . 2.0 mt -62.9 -37.93 88.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -55.33 -67.01 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.546 ' O ' HG22 ' A' ' 48' ' ' VAL . 62.6 t0 -42.31 -56.52 2.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.66 ' HH2' HD12 ' A' ' 25' ' ' LEU . 25.5 m0 -42.31 -43.69 3.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 107.973 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.625 ' HH2' ' HB1' ' A' ' 14' ' ' ALA . 37.8 t-105 -74.04 -52.42 12.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.38 -33.27 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 44' ' ' ASP . 33.6 m -105.09 53.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.643 HD13 ' CE2' ' A' ' 18' ' ' PHE . 14.4 tp -125.15 129.22 49.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.453 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -66.71 175.79 1.29 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.453 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.03 -47.36 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.541 1.811 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.44 -45.2 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.467 ' HG2' HD11 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -68.91 -51.83 35.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.611 ' HG3' HD23 ' A' ' 49' ' ' LEU . 4.2 mttm -50.66 -35.89 32.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -51.48 -67.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.519 ' HE3' ' CZ ' ' A' ' 57' ' ' TYR . 7.8 pttt -41.26 -50.12 3.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.519 ' CZ ' ' HE3' ' A' ' 56' ' ' LYS . 54.6 m-85 -61.73 -54.47 42.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.1 m -41.02 -39.56 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.351 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -67.64 -54.29 20.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.2 mtm -51.66 -51.44 55.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.453 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -63.14 -41.16 99.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -46.16 76.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -68.05 -42.36 80.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.565 ' CE2' HD21 ' A' ' 17' ' ' LEU . 3.7 m-85 -61.41 -46.77 88.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.471 ' HA ' ' CB ' ' A' ' 11' ' ' PRO . 9.5 ttpt -57.51 -62.6 1.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -46.77 -42.08 16.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.98 -58.98 6.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 69' ' ' MET . 32.8 t80 -51.4 -57.16 9.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' PHE . 6.5 mmt -37.82 105.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.88 -60.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.29 75.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -142.01 127.68 10.73 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -58.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.491 1.785 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -80.9 90.97 1.39 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -168.0 170.92 10.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -146.49 87.02 1.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.341 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.3 t -67.77 150.0 49.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.975 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -118.53 178.32 16.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -52.81 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.14 82.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.4 p -96.15 115.46 27.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.6 127.41 46.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -124.51 -58.56 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.22 129.68 47.96 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.434 1.084 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.97 -54.51 3.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 0.799 . . . . 0.0 110.029 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m 62.92 127.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.032 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.49 58.59 0.68 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 54.61 96.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.441 ' O ' ' CE1' ' A' ' 68' ' ' PHE . 1.9 mmt180 -127.21 -44.47 1.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.0 mtp85 -107.81 157.35 36.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 162.25 37.57 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.55 ' SD ' ' CG ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -85.07 136.91 33.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -94.85 -171.91 2.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.456 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -69.04 -58.94 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.532 ' HA ' ' CE3' ' A' ' 46' ' ' TRP . 3.7 t80 -51.17 -34.68 32.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 16' ' ' LEU . 7.5 mt -66.6 -39.01 88.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 60' ' ' MET . 20.1 mt -61.01 -44.96 96.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.759 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 6.4 t80 -73.25 -17.15 61.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 111.054 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.744 ' HA ' HD22 ' A' ' 42' ' ' LEU . 49.9 t -85.67 -29.76 23.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.334 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.8 -9.76 57.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -93.64 -56.29 2.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.759 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 25.8 m80 -80.93 -11.37 59.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.6 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.07 -65.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.328 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.448 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 1.1 m -50.77 -46.16 59.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.735 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -50.15 -71.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.713 HG21 ' HG ' ' A' ' 42' ' ' LEU . 3.8 t -46.88 -58.6 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.38 -50.73 5.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 24' ' ' SER . 8.6 mm-40 -62.77 -66.61 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' CD ' ' CD1' ' A' ' 25' ' ' LEU . 93.8 mt-10 -48.55 -24.27 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.507 ' HB3' HD23 ' A' ' 33' ' ' LEU . 19.4 m-70 -135.29 83.04 39.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.588 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -43.43 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.457 1.767 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -61.31 -39.73 91.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.507 HD23 ' HB3' ' A' ' 30' ' ' HIS . 2.3 mm? -42.73 154.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' GLY . 1.2 m-20 -103.64 161.1 14.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -41.18 -36.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.22 -42.57 30.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . -61.28 -57.89 16.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.5 1.125 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -46.46 -45.48 18.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 109.259 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.6 m -55.85 -39.32 71.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.361 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.86 -15.44 62.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.406 HG22 HG22 ' A' ' 26' ' ' VAL . 4.0 mm -91.3 -35.08 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.744 HD22 ' HA ' ' A' ' 19' ' ' CYS . 1.0 OUTLIER -78.27 -37.48 44.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.07 -58.09 7.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.448 ' O ' HG22 ' A' ' 48' ' ' VAL . 27.3 t0 -54.67 -58.16 8.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.735 ' HH2' HD12 ' A' ' 25' ' ' LEU . 32.3 m0 -42.16 -37.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 53.2 t-105 -78.12 -50.93 11.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.95 -38.4 22.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 48' ' ' VAL . 16.5 m -105.24 56.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.538 HD23 ' HG3' ' A' ' 54' ' ' LYS . 32.9 tp -106.73 -108.44 0.31 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.416 ' OD1' ' C ' ' A' ' 49' ' ' LEU . 3.6 p-10 170.87 161.26 0.22 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 50' ' ' ASP . 18.4 Cg_endo -75.02 -28.93 8.72 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -64.36 -43.97 92.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -45.65 40.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.573 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 14.1 mttt -54.1 -29.13 43.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -55.11 -73.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.83 -42.87 3.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -64.05 -45.35 89.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 54' ' ' LYS . 1.6 m -57.97 -35.58 71.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -68.98 -49.71 55.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.54 ' HB2' HD13 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -50.88 -43.45 59.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.999 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.78 -47.38 66.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.1 -52.92 18.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.27 -45.09 94.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.55 ' CG ' ' SD ' ' A' ' 12' ' ' MET . 1.1 m-85 -58.41 -42.97 88.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -54.55 -57.11 12.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' LYS . 9.7 t70 -40.31 -51.43 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.62 -58.7 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.251 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.441 ' CE1' ' O ' ' A' ' 9' ' ' ARG . 86.4 t80 -49.62 -45.89 48.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.3 mmt -80.76 -173.86 4.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt 71.29 -60.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.53 -54.03 6.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -51.08 152.09 4.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -57.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.468 1.773 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -123.05 98.22 0.6 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -120.57 -45.09 2.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.759 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 65.13 117.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.332 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.06 -59.48 2.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.978 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.73 173.73 43.45 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.537 1.148 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 156.37 42.98 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.2 p -60.19 -58.33 8.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.93 137.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.974 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 70.78 -61.8 0.46 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 0.743 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.2 m -150.36 110.46 4.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.65 102.6 1.22 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 p -69.26 102.96 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 0.783 . . . . 0.0 110.033 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.28 137.88 17.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.89 148.88 20.89 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.59 -65.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 0.805 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.35 -50.99 5.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 10' ' ' ARG . 5.2 ptp180 -43.63 157.24 0.27 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.6 33.02 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.458 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 10.1 ptp -78.57 133.84 37.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -95.11 -177.6 4.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.496 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -61.45 -56.59 18.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -51.96 -38.47 56.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.66 -39.61 94.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.224 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.579 HD13 ' HB2' ' A' ' 60' ' ' MET . 18.8 mt -59.95 -49.52 77.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.796 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 5.0 t80 -60.72 -40.17 91.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.723 ' SG ' HD13 ' A' ' 42' ' ' LEU . 33.7 t -68.71 -27.86 66.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 108.307 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.18 -20.15 45.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -92.95 -43.41 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.796 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 56.1 m80 -87.53 -11.6 48.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.604 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -38.78 -69.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.488 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.7 OUTLIER -51.89 -44.96 63.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.748 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -45.95 -71.01 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.58 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.4 t -52.2 -61.4 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.79 -40.0 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 24' ' ' SER . 5.0 mm100 -71.63 -61.51 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -55.99 -17.91 7.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 26' ' ' VAL . 8.1 m-70 -140.17 79.8 21.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.611 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -48.5 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.437 1.756 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -45.06 -32.52 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.513 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -56.51 157.59 5.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' ARG . 5.2 t0 -118.45 51.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.3 t30 67.6 -67.77 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' ASP . 7.3 ttt180 -39.94 -36.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.513 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -81.52 -46.82 6.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.664 ' O ' HD12 ' A' ' 42' ' ' LEU . . . -53.77 -20.75 6.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 0.783 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.4 m -75.81 -13.08 60.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.42 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -37.88 15.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 38' ' ' ALA . 1.6 mp -75.38 -33.28 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.723 HD13 ' SG ' ' A' ' 19' ' ' CYS . 2.9 mt -69.0 -40.0 78.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.74 -69.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.45 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 12.9 t0 -41.84 -54.35 3.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.748 ' HH2' HD12 ' A' ' 25' ' ' LEU . 20.3 m0 -41.04 -51.25 3.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.0 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.583 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 43.8 t-105 -66.32 -46.56 76.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 107.954 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -51.04 -24.65 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 48' ' ' VAL . 30.6 m -115.83 55.99 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.749 HD22 ' CD2' ' A' ' 18' ' ' PHE . 39.0 tp -122.4 152.29 40.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.435 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -83.06 174.43 6.04 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.435 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -74.95 -52.0 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -39.38 -44.97 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -49.27 61.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.245 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.583 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 6.3 mttm -56.1 -29.37 60.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -71.84 -59.02 2.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.4 pttt -53.47 -24.88 14.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.413 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . 5.4 m-85 -83.04 -52.38 6.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 111.056 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -49.96 -37.11 30.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -66.17 -49.93 65.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.579 ' HB2' HD13 ' A' ' 17' ' ' LEU . 21.4 mtm -55.65 -32.69 63.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.406 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -80.06 -47.3 15.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -27.06 64.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.27 -45.33 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 60' ' ' MET . 2.6 m-85 -66.73 -40.99 88.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -64.28 -62.2 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -47.13 -49.94 21.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.81 -62.4 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -40.18 -51.88 2.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.411 ' HA ' ' OD1' ' A' ' 72' ' ' ASN . 19.1 mmt -50.3 97.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.85 -63.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.66 64.89 8.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.411 ' OD1' ' HA ' ' A' ' 69' ' ' MET . 11.9 m120 -133.34 117.64 14.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.48 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.792 . . . . 0.0 111.032 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -85.95 -134.73 3.61 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.416 ' O ' ' O ' ' A' ' 74' ' ' GLY . 34.2 t80 55.49 111.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 0.784 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.43 88.39 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.7 t -40.93 116.06 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.951 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.11 157.22 11.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -178.16 3.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.43 148.16 43.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.033 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.7 t -137.86 156.42 47.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.62 121.26 9.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 0.738 . . . . 0.0 110.018 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m -141.44 84.38 1.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.64 -157.22 41.73 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.91 123.86 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 0.725 . . . . 0.0 110.05 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -160.32 129.32 4.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.04 98.29 0.26 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.87 174.15 6.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -68.24 94.42 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.461 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 9.2 ttt180 -165.53 139.59 3.84 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 10' ' ' ARG . 18.4 Cg_endo -74.96 -88.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.799 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.424 ' HA ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -125.81 -168.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 13' ' ' ASN . 0.5 OUTLIER -150.42 -174.75 4.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -62.48 -61.82 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.413 ' HA ' ' CZ3' ' A' ' 46' ' ' TRP . 13.5 t80 -49.81 -33.01 15.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -69.2 -27.63 65.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.658 HD12 ' HA ' ' A' ' 14' ' ' ALA . 21.6 mt -73.54 -42.93 61.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.663 ' CE1' ' CE1' ' A' ' 22' ' ' HIS . 59.3 t80 -67.8 -26.73 66.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.937 ' HA ' HD22 ' A' ' 42' ' ' LEU . 33.0 m -78.54 -41.43 32.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.338 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -9.76 51.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 17' ' ' LEU . 1.1 mmp_? -100.53 -58.13 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.663 ' CE1' ' CE1' ' A' ' 18' ' ' PHE . 23.3 m80 -76.08 -11.01 59.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.593 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.77 -72.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -41.9 65.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.829 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -46.87 -52.94 13.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.685 ' CG1' ' HB1' ' A' ' 38' ' ' ALA . 1.1 t -62.6 -60.03 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.644 ' N ' HG12 ' A' ' 26' ' ' VAL . 8.6 mtm180 -38.77 -33.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -76.9 -59.79 2.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.43 -16.28 34.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.27 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' VAL . 29.3 m-70 -145.63 79.8 11.07 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.625 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -41.98 0.58 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.75 -24.01 2.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.535 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -70.69 153.77 42.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -97.99 -69.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -155.68 -67.02 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.71 -32.65 8.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.534 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -72.76 -54.67 7.12 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.685 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -49.95 -40.55 44.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m -62.01 -42.52 99.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.429 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -25.21 59.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.573 ' HB ' HG21 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -80.85 -57.96 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.937 HD22 ' HA ' ' A' ' 19' ' ' CYS . 1.9 mt -44.0 -41.76 5.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -47.31 -69.57 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.449 ' O ' HG22 ' A' ' 48' ' ' VAL . 26.0 t0 -45.44 -50.12 12.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.829 ' HH2' HD12 ' A' ' 25' ' ' LEU . 20.1 m0 -48.75 -40.82 30.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.01 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.569 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 42.5 t-105 -73.85 -53.08 11.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 107.965 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.42 -27.9 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 48' ' ' VAL . 14.3 m -112.21 54.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.629 HD23 ' HG3' ' A' ' 54' ' ' LYS . 21.9 tp -119.3 151.49 38.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.464 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -84.52 176.58 3.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.1 Cg_endo -75.01 -52.01 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -39.96 -47.26 2.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.524 ' O ' ' CD2' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -66.33 -46.79 75.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.629 ' HG3' HD23 ' A' ' 49' ' ' LEU . 13.6 mttt -59.61 -34.58 72.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -61.64 -64.31 0.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -45.57 -45.25 13.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.524 ' CD2' ' O ' ' A' ' 53' ' ' GLU . 16.4 m-85 -64.29 -49.93 69.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.957 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.82 -22.88 59.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.389 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -86.94 -43.08 12.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.564 ' HB2' HD13 ' A' ' 17' ' ' LEU . 19.5 mtm -59.39 -42.72 92.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.514 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -58.04 -48.93 78.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -40.99 64.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -75.54 -47.27 27.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -50.05 -37.58 33.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -63.79 -52.36 60.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -40.29 -36.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.95 -60.62 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.431 ' O ' ' N ' ' A' ' 70' ' ' LYS . 14.4 t80 -47.13 -62.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.511 ' SD ' ' CD2' ' A' ' 75' ' ' TYR . 1.6 mmt -40.84 95.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 68' ' ' PHE . 2.5 mmtp -97.14 -51.28 4.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -122.06 -77.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 42.23 90.49 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.359 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -32.1 5.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.11 56.31 3.26 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.546 ' CE1' ' HB2' ' A' ' 77' ' ' SER . 10.9 t80 -145.59 -78.01 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.551 0.795 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.463 ' O ' ' CB ' ' A' ' 77' ' ' SER . 0.1 OUTLIER 65.0 -77.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.546 ' HB2' ' CE1' ' A' ' 75' ' ' TYR . 2.4 t 82.94 -67.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 109.968 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 135.87 87.08 0.23 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 149.76 36.84 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.18 86.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.0 p -130.49 120.99 24.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.51 148.59 24.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -164.6 127.23 2.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.95 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.08 -158.91 8.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 p -101.12 94.01 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 0.751 . . . . 0.0 110.06 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 p -86.1 169.43 13.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.996 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.43 174.01 43.2 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.06 146.66 15.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.64 95.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.249 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.401 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -157.82 168.4 12.53 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 10' ' ' ARG . 18.4 Cg_endo -74.99 166.59 28.89 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.541 ' SD ' ' CG ' ' A' ' 64' ' ' TYR . 6.8 ptp -86.38 125.51 33.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -91.8 -175.38 4.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.46 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -61.86 -64.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.598 ' CE1' ' SG ' ' A' ' 19' ' ' CYS . 7.3 t80 -47.85 -27.08 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 16' ' ' LEU . 1.4 mt -74.85 -36.54 62.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.605 HD21 ' CD2' ' A' ' 64' ' ' TYR . 23.5 mt -62.83 -56.52 16.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.804 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 7.8 t80 -57.01 -33.31 67.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.879 ' HA ' HD22 ' A' ' 42' ' ' LEU . 64.0 m -72.44 -37.77 68.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 108.299 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.36 -11.0 60.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -98.4 -47.25 5.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.804 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 54.9 m80 -86.69 -11.48 51.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.642 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.69 -70.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.271 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.407 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.4 OUTLIER -47.88 -50.01 27.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.018 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.538 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -41.5 -69.49 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.152 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' HIS . 2.8 t -52.54 -62.24 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.01 -34.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 24' ' ' SER . 6.1 mm100 -79.15 -62.62 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.354 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -54.32 -19.22 5.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' VAL . 10.1 m-70 -137.84 80.1 31.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.623 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.99 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -49.95 -30.19 9.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.603 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -61.9 151.55 34.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.36 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -94.8 -74.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -148.94 -71.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 -45.21 -36.57 3.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.603 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -62.15 -58.97 10.31 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.409 ' HB1' HG12 ' A' ' 26' ' ' VAL . . . -56.27 -35.73 67.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.6 m -67.83 -30.18 69.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -15.81 58.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.9 mt -90.91 -32.45 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.879 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.1 mt -70.22 -43.4 70.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.16 -69.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' TRP . 0.7 OUTLIER -41.62 -59.25 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.538 ' HH2' HD12 ' A' ' 25' ' ' LEU . 18.9 m0 -42.31 -48.55 5.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 108.035 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 33.4 t-105 -65.71 -52.72 49.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 107.994 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -41.69 -35.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.7 m -99.41 49.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.574 HD13 ' CE2' ' A' ' 18' ' ' PHE . 18.0 tp -122.93 127.34 48.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.462 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -65.5 176.05 0.97 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.462 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.2 Cg_endo -74.96 -47.68 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.553 1.817 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.32 -48.17 2.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.404 ' HG2' HD11 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -65.45 -46.98 77.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.31 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 3.5 mttm -56.61 -38.07 71.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -50.71 -64.34 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.461 ' CG ' ' N ' ' A' ' 57' ' ' TYR . 3.1 pttt -47.52 -49.6 25.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.461 ' N ' ' CG ' ' A' ' 56' ' ' LYS . 27.8 m-85 -58.87 -46.37 87.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 m -57.42 -34.01 68.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -76.53 -36.92 57.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.436 ' CB ' HD13 ' A' ' 17' ' ' LEU . 3.0 mtm -68.55 -32.56 72.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.462 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -78.34 -56.77 4.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.32 -23.15 5.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.19 -49.7 6.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.605 ' CD2' HD21 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -57.75 -50.36 73.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.97 -63.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -40.79 -48.79 3.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.72 -48.22 77.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -56.82 -50.73 71.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.419 ' HA ' ' OD1' ' A' ' 72' ' ' ASN . 4.1 mmt -78.35 94.07 4.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -113.89 -61.85 1.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.26 73.89 5.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.419 ' OD1' ' HA ' ' A' ' 69' ' ' MET . 12.5 m120 -139.79 103.85 6.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 100.59 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.26 82.52 0.75 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.62 ' CG ' ' N ' ' A' ' 76' ' ' ARG . 5.3 p90 -119.05 -44.83 2.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.774 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.62 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -165.26 -45.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.8 t -50.67 120.04 4.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.95 157.1 53.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 97.63 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.2 m 62.41 159.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.9 t 45.8 94.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 p 54.51 170.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -120.88 78.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.96 137.86 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -147.75 -57.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.85 -61.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.007 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.525 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 46.03 -111.85 0.72 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 73.59 55.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 176.25 75.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.67 156.48 1.14 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 160.24 40.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 111.041 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.88 130.74 38.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -86.09 -178.89 6.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.547 ' HB2' ' HA ' ' A' ' 58' ' ' THR . . . -64.03 -41.72 97.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -66.92 -43.1 84.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.07 -30.77 68.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.584 HD13 ' HB2' ' A' ' 60' ' ' MET . 19.4 mt -68.93 -45.01 71.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.784 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 49.8 t80 -63.37 -36.35 83.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.932 ' HA ' HD22 ' A' ' 42' ' ' LEU . 68.1 m -71.34 -37.04 71.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 108.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -9.81 58.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -100.16 -59.11 1.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.257 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.784 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 60.8 m80 -74.25 -10.78 59.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.633 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -36.36 -68.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 73.9 p -51.23 -49.65 60.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 110.007 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' HB3' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -42.43 -68.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.509 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.9 t -51.02 -63.34 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.66 -43.3 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.408 ' CG ' ' O ' ' A' ' 24' ' ' SER . 6.4 mm-40 -68.15 -62.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.345 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -54.09 -19.34 4.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.455 ' CE1' HD13 ' A' ' 41' ' ' ILE . 12.7 m-70 -139.68 80.82 20.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.6 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -32.42 5.33 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -25.35 68.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -69.04 151.69 46.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.17 -83.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -141.41 -67.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -48.79 -32.83 9.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.413 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -70.71 -55.56 8.26 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.48 ' HB1' HG12 ' A' ' 26' ' ' VAL . . . -58.66 -34.89 71.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.0 m -62.6 -36.91 84.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -66.79 -32.32 73.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.473 ' CG2' HG22 ' A' ' 26' ' ' VAL . 8.4 mt -72.78 -44.35 59.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.932 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.6 mt -59.32 -37.54 78.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.61 -69.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.49 ' HA ' ' HB3' ' A' ' 47' ' ' ALA . 1.0 OUTLIER -44.6 -54.09 6.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.492 ' CE3' ' HB3' ' A' ' 22' ' ' HIS . 18.2 m0 -42.56 -44.92 4.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 108.006 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.579 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 48.8 t-105 -74.84 -51.37 14.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 108.006 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.49 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -48.27 -24.42 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 48' ' ' VAL . 4.8 m -116.16 57.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.564 HD23 ' HG3' ' A' ' 54' ' ' LYS . 34.3 tp -124.88 155.98 38.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.466 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -87.01 176.23 3.69 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -74.98 -52.44 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 51' ' ' PRO . 13.4 mttt -38.83 -47.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.558 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -67.34 -52.4 40.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.366 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.579 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 11.1 mttt -53.44 -31.45 45.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -69.13 -63.07 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -48.07 -28.11 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -82.2 -48.77 10.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.547 ' HA ' ' HB2' ' A' ' 14' ' ' ALA . 1.4 m -53.82 -28.77 37.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -75.51 -49.36 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.584 ' HB2' HD13 ' A' ' 17' ' ' LEU . 23.2 mtm -54.83 -35.1 63.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.3 -50.36 16.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -26.12 68.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -82.47 -40.79 20.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.55 ' CD2' ' O ' ' A' ' 60' ' ' MET . 2.4 m-85 -68.42 -42.26 79.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -49.36 -57.0 7.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -44.21 -49.3 9.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.39 -50.07 74.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -58.3 -40.0 80.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.56 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 4.2 mmt -88.88 -174.0 4.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 69' ' ' MET . 10.5 tptp 90.25 -38.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -94.04 47.37 1.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -160.73 143.39 9.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -172.9 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 39.96 56.73 2.61 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 69' ' ' MET . 14.8 t80 -165.0 159.6 18.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 0.732 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.401 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -144.25 -54.74 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.275 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.4 t 172.64 -57.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.97 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 144.29 -131.96 4.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.96 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 153.17 41.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.481 1.78 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.95 170.05 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.024 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.92 155.37 18.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.9 OUTLIER 81.14 162.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 0.771 . . . . 0.0 110.003 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.3 m -98.26 175.48 6.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.88 -122.96 4.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.559 1.162 . . . . 0.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 t -159.05 108.51 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 110.021 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.45 168.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.994 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.52 -80.75 1.28 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 58.95 102.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.76 89.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.488 ' CD ' ' HD2' ' A' ' 11' ' ' PRO . 20.7 tpp180 -169.94 136.44 1.33 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.488 ' HD2' ' CD ' ' A' ' 10' ' ' ARG . 18.4 Cg_endo -74.99 -167.49 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.525 1.802 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.495 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 7.1 ptp -134.06 127.71 32.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.592 ' H ' HD12 ' A' ' 16' ' ' LEU . 85.7 m-20 -81.94 -174.33 4.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -65.93 -54.09 30.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -58.41 -33.68 69.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.592 HD12 ' H ' ' A' ' 13' ' ' ASN . 23.2 mt -68.24 -28.46 67.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.531 HD13 ' HB2' ' A' ' 60' ' ' MET . 17.7 mt -72.12 -49.31 37.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.79 ' CE2' ' CE1' ' A' ' 22' ' ' HIS . 11.5 t80 -59.56 -38.6 81.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 1.019 ' HA ' HD22 ' A' ' 42' ' ' LEU . 58.1 m -68.5 -36.55 79.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.336 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -27.58 63.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -85.83 -58.64 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.79 ' CE1' ' CE2' ' A' ' 18' ' ' PHE . 50.6 m80 -69.72 -11.59 60.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.56 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -38.61 -70.2 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' LEU . 71.8 p -48.54 -50.44 32.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.492 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.7 OUTLIER -40.38 -70.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.604 HG21 ' HG ' ' A' ' 42' ' ' LEU . 2.6 t -46.92 -62.15 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.02 -36.74 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -76.69 -63.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -52.36 -20.73 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.547 ' CD2' HD12 ' A' ' 41' ' ' ILE . 24.5 m-70 -139.84 82.2 18.13 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.608 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -18.24 18.81 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -14.76 59.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.629 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -86.17 156.13 20.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.28 -78.03 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -144.9 -57.02 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -49.79 -42.55 47.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.629 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -76.9 -48.41 8.58 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.521 ' O ' HG11 ' A' ' 26' ' ' VAL . . . -52.3 -42.02 63.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.4 ' HA ' HD12 ' A' ' 42' ' ' LEU . 45.9 m -64.57 -49.14 72.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.54 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -47.2 -45.83 23.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.547 HD12 ' CD2' ' A' ' 30' ' ' HIS . 5.3 mt -62.35 -53.62 45.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.019 HD22 ' HA ' ' A' ' 19' ' ' CYS . 3.5 mt -45.83 -41.74 11.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 40' ' ' LYS . . . -47.83 -69.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.488 ' O ' HG22 ' A' ' 48' ' ' VAL . 33.9 t0 -43.54 -55.22 4.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.492 ' HH2' HD12 ' A' ' 25' ' ' LEU . 16.0 m0 -42.0 -51.37 4.47 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 36.6 t-105 -67.2 -44.38 79.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 107.984 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.483 ' HB3' ' HA ' ' A' ' 44' ' ' ASP . . . -51.75 -30.03 21.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 44' ' ' ASP . 34.5 m -109.38 54.3 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.897 HD23 ' HG3' ' A' ' 54' ' ' LYS . 17.5 tp -121.99 152.89 39.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.483 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -88.9 177.09 2.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.483 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.3 Cg_endo -75.07 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -39.74 -44.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -50.38 39.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.897 ' HG3' HD23 ' A' ' 49' ' ' LEU . 12.2 mttt -55.76 -31.34 62.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -67.71 -61.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 57' ' ' TYR . 11.4 pttt -47.31 -30.23 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.415 ' N ' ' HG3' ' A' ' 56' ' ' LYS . 9.1 m-85 -80.1 -49.23 12.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.7 m -54.62 -25.61 27.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -77.8 -43.99 28.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.531 ' HB2' HD13 ' A' ' 17' ' ' LEU . 10.4 mtm -58.45 -39.75 80.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.441 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -72.08 -55.06 8.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.07 -42.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -53.41 11.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.495 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 3.5 m-85 -54.08 -44.97 71.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -62.28 -63.98 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -40.55 -48.73 2.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.41 -57.78 9.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 70' ' ' LYS . 29.5 t80 -49.57 -52.58 29.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.4 mmt -58.18 85.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -105.08 -62.35 1.36 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.75 -76.94 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 42.9 84.15 0.19 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 80.01 2.53 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.516 1.798 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.61 57.25 1.19 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.4 ' CE2' ' O ' ' A' ' 77' ' ' SER . 53.5 t80 -58.98 -63.84 1.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 0.757 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 43.15 90.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.4 ' O ' ' CE2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -178.47 82.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.997 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 60.88 97.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -42.37 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.465 1.771 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 82' ' ' GLY . 46.4 t -149.88 125.73 10.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.1 t 66.88 -71.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 80' ' ' SER . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -98.3 104.25 16.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 0.767 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.43 -59.88 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.972 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.83 -74.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.17 101.56 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.75 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.65 149.14 24.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.011 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.2 -60.22 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.65 146.73 42.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 0.78 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.33 -65.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.255 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -74.45 157.4 86.36 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -168.59 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.45 1.763 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.569 ' SD ' ' CD2' ' A' ' 64' ' ' TYR . 6.8 ptp -134.83 129.46 34.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -78.19 -174.92 3.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.534 ' HB1' ' HH2' ' A' ' 46' ' ' TRP . . . -69.36 -21.76 63.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -84.76 -40.2 17.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.58 -13.79 61.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 60' ' ' MET . 35.4 mt -83.87 -52.58 6.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.722 ' CZ ' ' CD2' ' A' ' 22' ' ' HIS . 11.2 t80 -69.67 -15.24 63.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.881 ' HA ' HD22 ' A' ' 42' ' ' LEU . 1.1 m -84.94 -36.48 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.291 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -16.2 55.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.24 -53.56 4.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.722 ' CD2' ' CZ ' ' A' ' 18' ' ' PHE . 12.0 m80 -79.6 -11.39 59.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.602 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -37.66 -66.32 0.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.251 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 1.6 p -53.12 -46.13 68.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.794 HD12 ' HH2' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -45.17 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.605 ' CG1' ' HB1' ' A' ' 38' ' ' ALA . 2.7 t -55.36 -62.59 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.351 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.07 -41.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 24' ' ' SER . 1.5 mm100 -70.85 -62.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -54.27 -19.27 5.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.445 ' CE1' HD13 ' A' ' 41' ' ' ILE . 9.0 m-70 -139.66 80.86 20.8 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.594 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -42.23 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.46 1.768 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -25.21 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.517 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -66.64 152.43 45.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.355 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 36' ' ' ARG . 1.2 m-20 -116.36 51.32 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 69.47 -65.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' ASP . 2.9 tmt_? -39.99 -38.99 0.78 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.517 ' HA3' HD12 ' A' ' 33' ' ' LEU . . . -81.27 -44.48 8.02 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.46 1.1 . . . . 0.0 111.05 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.605 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -55.52 -42.11 74.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.4 m -58.55 -24.65 61.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.12 -21.58 39.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.445 HD13 ' CE1' ' A' ' 30' ' ' HIS . 11.4 mt -86.73 -35.27 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.881 HD22 ' HA ' ' A' ' 19' ' ' CYS . 1.8 mt -65.01 -44.84 87.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 46' ' ' TRP . . . -44.09 -67.72 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.727 ' O ' HG13 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -49.44 -45.96 47.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.794 ' HH2' HD12 ' A' ' 25' ' ' LEU . 7.3 m0 -54.47 -30.35 52.8 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 54' ' ' LYS . 59.7 t-105 -85.55 -51.28 6.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 107.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.76 -44.91 58.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.727 HG13 ' O ' ' A' ' 44' ' ' ASP . 7.5 m -69.87 -38.29 75.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.631 HD13 ' CE2' ' A' ' 18' ' ' PHE . 13.9 tp -40.34 145.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.492 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -89.67 177.64 2.35 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.2 Cg_endo -75.02 -43.93 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.5 1.789 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -46.41 -39.64 10.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.451 ' HA ' ' HE3' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -74.62 -50.73 16.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.599 ' HG3' HD23 ' A' ' 49' ' ' LEU . 3.7 mttm -51.35 -22.34 2.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -53.23 -68.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 53' ' ' GLU . 6.0 ptpt -49.81 -40.65 42.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.403 ' HA ' ' HE2' ' A' ' 60' ' ' MET . 55.3 m-85 -69.0 -25.52 64.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 54' ' ' LYS . 1.2 m -77.93 -28.29 49.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -85.63 -42.94 13.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.558 ' HB2' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -53.53 -41.9 66.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.15 -43.02 54.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -35.03 62.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -80.87 -46.76 14.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.296 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.569 ' CD2' ' SD ' ' A' ' 12' ' ' MET . 2.9 m-85 -61.48 -37.89 85.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -68.73 -57.78 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -46.57 -35.32 5.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.96 -56.82 9.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -45.67 -39.79 8.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 mmt -67.51 87.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -151.74 33.9 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -169.19 -50.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -43.12 116.24 2.0 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -43.39 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.469 1.773 . . . . 0.0 111.042 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.47 -58.2 1.74 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.557 ' CE1' ' O ' ' A' ' 76' ' ' ARG . 10.3 t80 -60.84 155.92 18.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.557 ' O ' ' CE1' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -130.54 156.65 44.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.261 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.7 t -119.92 134.33 55.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -135.59 -173.8 13.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 84.05 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.496 1.788 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.6 p -149.44 94.12 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.93 -58.13 0.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.948 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 56.31 107.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.779 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -44.15 152.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.984 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.25 120.74 0.91 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 m -68.08 143.75 55.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.38 169.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.96 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.14 178.13 40.86 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.14 -179.05 5.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.67 125.31 20.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 ptt-85 -158.88 156.45 26.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 152.38 40.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.68 119.46 19.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.41 ' N ' ' HB2' ' A' ' 16' ' ' LEU . 6.3 t-20 -77.24 169.54 18.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.552 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -49.92 -43.55 49.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -65.6 -38.27 89.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 16' ' ' LEU . 14.4 mt -64.78 -20.99 66.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.571 HD13 ' HB2' ' A' ' 60' ' ' MET . 19.6 mt -80.7 -48.17 12.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.438 ' CE1' HD13 ' A' ' 49' ' ' LEU . 61.8 t80 -66.65 -17.46 64.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.981 ' HA ' HD22 ' A' ' 42' ' ' LEU . 1.8 m -85.22 -45.36 12.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 108.329 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -9.9 59.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -93.64 -55.57 3.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.478 ' O ' ' C ' ' A' ' 23' ' ' ARG . 17.9 m80 -84.75 -10.26 57.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.606 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.518 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -32.67 -72.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.82 -43.61 63.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.999 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.749 HD12 ' CZ3' ' A' ' 45' ' ' TRP . 1.0 OUTLIER -46.55 -60.82 2.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.729 HG23 ' CZ3' ' A' ' 45' ' ' TRP . 1.2 t -52.13 -62.86 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.668 ' N ' HG12 ' A' ' 26' ' ' VAL . 3.4 mtm180 -38.64 -43.27 0.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -63.88 -55.89 19.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.455 ' OE1' ' CZ2' ' A' ' 45' ' ' TRP . 72.1 mt-10 -67.55 -8.91 37.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.686 ' CD2' HG21 ' A' ' 41' ' ' ILE . 50.0 m-70 -150.12 76.02 8.76 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.585 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -32.14 5.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.14 -14.52 25.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -77.64 155.37 31.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 36' ' ' ARG . 8.6 t0 -118.1 51.47 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 69.12 -66.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -39.97 -42.13 1.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' C ' HD12 ' A' ' 33' ' ' LEU . . . -79.03 -46.51 8.24 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.414 1.072 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.653 ' HB1' ' CG1' ' A' ' 26' ' ' VAL . . . -46.17 -44.69 16.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.2 m -52.85 -40.82 63.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.357 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -68.91 -19.86 64.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.686 HG21 ' CD2' ' A' ' 30' ' ' HIS . 2.4 mt -85.05 -40.11 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.981 HD22 ' HA ' ' A' ' 19' ' ' CYS . 1.0 OUTLIER -64.3 -44.33 91.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.66 -66.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 50.3 t0 -43.18 -59.91 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.749 ' CZ3' HD12 ' A' ' 25' ' ' LEU . 43.7 m0 -42.17 -50.15 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 108.051 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.626 ' CE3' HD22 ' A' ' 49' ' ' LEU . 35.5 t-105 -62.59 -51.58 66.75 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 44' ' ' ASP . . . -43.7 -31.92 0.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -108.77 55.43 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.639 HD23 ' HG3' ' A' ' 54' ' ' LYS . 22.9 tp -117.74 141.78 48.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.456 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -72.54 175.78 2.98 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 50' ' ' ASP . 18.2 Cg_endo -75.02 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' PRO . 12.1 mttt -39.24 -51.38 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -46.93 88.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.315 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.639 ' HG3' HD23 ' A' ' 49' ' ' LEU . 14.3 mttt -59.81 -43.27 94.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -61.08 -42.43 98.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -61.31 -49.38 77.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.434 ' HH ' ' HD1' ' A' ' 18' ' ' PHE . 24.7 m-85 -62.31 -46.52 88.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 m -52.01 -20.78 2.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 110.381 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -84.33 -54.19 4.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.571 ' HB2' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -47.31 -40.56 17.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.425 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -69.91 -52.66 22.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.62 -37.95 13.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.25 -51.14 18.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.451 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 3.1 m-85 -59.37 -45.92 90.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 66' ' ' ASP . 2.9 tttt -51.62 -64.86 0.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' LYS . 17.9 t70 -40.31 -34.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 64' ' ' TYR . . . -78.3 -55.91 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -39.69 -48.32 2.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.982 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 23.6 mmt -76.02 85.94 2.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -148.79 -64.21 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.42 66.17 8.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -143.72 121.4 6.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -48.53 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.543 1.812 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.66 -133.64 0.02 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.427 ' CG ' ' N ' ' A' ' 76' ' ' ARG . 60.1 t80 52.59 174.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.427 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 6.3 tpp180 179.67 115.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.0 t -64.27 79.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' ARG . . . -77.2 -145.67 2.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 157.21 42.88 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.84 -60.0 1.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.3 m -56.64 94.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 -179.961 . . . . . . . . 0 0 . 1 stop_ save_