data_1ak8_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 1ak8 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -52.94 24.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.494 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -47.08 -45.98 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . -40.07 -37.98 0.67 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -71.84 -48.51 45.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.433 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 25.0 m-85 -49.29 -29.38 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 111.024 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -44.01 -54.72 5.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -54.49 -44.11 72.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.47 -54.83 15.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.62 ' CE1' ' CD1' ' A' ' 27' ' ' ILE . 46.7 t80 -53.49 -31.95 48.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -62.42 -51.96 65.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -36.66 -56.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.469 ' CB ' HD11 ' A' ' 27' ' ' ILE . 56.1 m-85 -70.52 -41.17 72.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -79.21 95.97 5.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.46 19.59 7.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -114.11 -20.18 11.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.51 16.24 21.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 37.7 p30 -81.97 -31.19 31.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.741 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 117.22 16.98 5.91 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 6.6 p -140.57 152.34 45.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 0.736 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.62 ' CD1' ' CE1' ' A' ' 16' ' ' PHE . 67.5 mt -122.16 102.77 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 29' ' ' THR . 10.2 t -79.55 -154.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.488 ' N ' ' OG1' ' A' ' 28' ' ' THR . 6.1 p -80.58 -62.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.371 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -46.95 -56.6 6.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -50.1 -29.03 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.474 ' CD2' HD21 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -82.02 -39.38 23.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.29 8.54 52.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.459 HG21 ' CZ ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -96.06 -68.9 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.381 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.5 -31.53 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -50.51 -30.59 13.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.459 ' CZ ' HG21 ' A' ' 34' ' ' THR . 1.2 ptt180 -57.1 -30.13 64.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.1 m -67.34 -39.92 85.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.966 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.51 -12.91 59.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.75 22.26 34.17 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -108.16 176.63 5.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.4 t30 177.27 72.09 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 166.68 28.67 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.533 1.807 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 p -76.44 174.02 10.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.47 -10.79 60.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.59 -54.17 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.81 -57.42 12.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 51' ' ' MET . 6.0 mt -45.51 -58.27 3.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -39.8 -46.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -42.8 93.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.9 mtt -63.59 -40.1 96.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.484 ' CG2' HG12 ' A' ' 63' ' ' ILE . 4.9 mt -71.46 -27.22 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -88.77 7.09 35.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 51' ' ' MET . 1.7 mt-10 -95.83 -18.29 20.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.435 ' CG2' ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -119.25 -40.43 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -71.43 98.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.15 -7.98 57.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.481 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -82.26 -31.27 30.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.97 32.93 58.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 49.8 p30 -74.22 -20.53 60.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 104.0 -25.91 24.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.446 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 1.2 t -112.33 -179.21 3.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 110.42 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.1 mm -123.18 139.06 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.622 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 58.9 m-20 -103.4 -169.27 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.716 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 19.7 t80 -76.86 -44.11 2.96 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.716 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.0 -25.68 11.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.792 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.529 ' O ' ' CG2' ' A' ' 70' ' ' THR . 1.1 mm-40 -80.08 -22.6 42.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -92.87 -29.98 15.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.494 HD23 ' CD1' ' A' ' 9' ' ' ILE . 6.1 mt -52.83 -36.83 59.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.529 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -61.72 -37.36 83.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.363 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -37.54 75.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.65 -46.59 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.91 -42.39 48.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -42.79 -91.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -43.53 98.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -56.31 -48.28 79.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.43 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -42.83 -37.88 1.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.2 -39.43 71.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 9' ' ' ILE . 4.2 m-85 -68.05 -33.32 74.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.575 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 6.9 mttt -38.76 -60.16 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -49.75 -42.31 46.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -52.65 -55.75 20.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.641 ' CE1' HD13 ' A' ' 27' ' ' ILE . 59.0 t80 -53.02 -35.34 59.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -58.21 -52.26 66.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -36.47 -56.89 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CB ' HD11 ' A' ' 27' ' ' ILE . 50.4 m-85 -70.22 -44.42 68.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.497 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 21.4 t0 -83.15 87.82 6.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' A' ' 23' ' ' GLY . 10.9 tptt -62.26 -61.49 2.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.48 -24.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.461 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.63 17.49 34.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 11.2 p30 -61.81 -29.59 70.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 125.16 4.11 7.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 4.8 p -135.3 151.72 50.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 110.414 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.641 HD13 ' CE1' ' A' ' 16' ' ' PHE . 95.5 mt -118.42 99.38 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.529 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.2 t -72.23 -151.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.529 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.6 p -87.08 -55.25 3.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -53.49 -42.54 67.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -68.23 -20.71 64.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.483 ' CD2' HD21 ' A' ' 48' ' ' LEU . 1.7 tp -88.26 -29.84 20.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.412 ' N ' HD23 ' A' ' 48' ' ' LEU . . . -93.53 8.71 74.52 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.87 -61.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 0.0 110.421 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 2.1 t -47.77 -28.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.411 ' HE3' ' NE2' ' A' ' 41' ' ' GLN . 0.7 OUTLIER -65.17 -45.05 86.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -62.89 -29.25 70.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 p -64.51 -18.99 65.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.957 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.81 -77.94 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.31 36.17 0.05 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.543 1.152 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.411 ' NE2' ' HE3' ' A' ' 36' ' ' MET . 30.9 mt-30 -131.81 169.22 16.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 110.254 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 0.3 OUTLIER -167.12 73.39 1.04 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 146.41 32.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.6 p -71.18 163.43 27.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.18 -24.78 56.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.51 -45.39 72.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.32 -62.32 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' MET . 6.4 mt -41.88 -58.3 2.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -42.24 -42.52 3.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -38.89 82.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 48' ' ' LEU . 25.4 mtp -69.63 -47.25 64.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.7 mt -52.57 -52.67 24.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -46.04 -54.47 8.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -45.43 -38.12 5.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.486 ' CG2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -110.19 34.49 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -159.25 92.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.8 -7.14 55.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.482 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -82.15 -33.52 29.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.87 34.34 56.2 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.482 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 50.7 p-10 -75.84 -21.76 56.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.447 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 105.92 -25.22 24.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.428 HG23 ' ND2' ' A' ' 60' ' ' ASN . 7.2 t -113.32 -177.68 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.486 HD13 ' CG2' ' A' ' 55' ' ' VAL . 1.2 mm -122.42 142.84 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.6 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 33.5 m-20 -112.32 -169.7 1.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.745 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 11.7 t80 -77.37 -44.78 2.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.745 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.99 -12.0 21.51 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.496 ' O ' ' CG2' ' A' ' 70' ' ' THR . 1.0 OUTLIER -96.47 -22.79 16.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -95.89 -30.25 13.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.424 HD23 ' CD1' ' A' ' 9' ' ' ILE . 11.1 mt -47.64 -28.75 2.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -70.54 -36.55 73.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.39 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -57.73 -49.94 74.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.559 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.1 mmt -59.8 -41.84 92.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.73 92.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.52 59.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -48.66 49.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.463 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -53.8 -45.45 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -41.71 -39.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.06 -44.45 84.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' ILE . 54.8 m-85 -61.44 -34.44 75.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.522 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 56.4 mttm -39.5 -62.57 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -47.02 -38.71 11.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -58.12 -55.15 38.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.647 ' CE1' HD11 ' A' ' 27' ' ' ILE . 59.0 t80 -56.28 -35.43 67.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.6 t -59.7 -51.48 69.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.024 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -38.73 -50.87 1.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.488 ' CB ' HD12 ' A' ' 27' ' ' ILE . 23.3 m-85 -76.24 -42.76 44.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.17 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 23.7 t0 -84.59 87.2 7.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.417 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER -61.48 -61.39 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.24 -23.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.46 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.18 16.84 28.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 36.5 p-10 -60.61 -30.99 70.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.424 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 126.23 1.13 7.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 44.7 p -132.94 146.97 52.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.647 HD11 ' CE1' ' A' ' 16' ' ' PHE . 89.3 mt -114.25 109.07 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.4 t -82.8 -152.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.403 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.521 ' N ' ' OG1' ' A' ' 28' ' ' THR . 34.1 p -90.06 -44.65 9.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.433 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -66.47 -21.34 66.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.477 ' CG ' HG21 ' A' ' 28' ' ' THR . 49.1 mt-10 -93.09 -12.2 31.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.471 ' CD2' HD21 ' A' ' 48' ' ' LEU . 2.0 tp -93.19 -36.92 12.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.28 -10.72 81.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.81 -63.09 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 0.0 110.45 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.87 -27.66 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -43.56 75.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -65.58 -19.8 66.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 t -106.45 32.43 4.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 tt -146.44 -46.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.94 44.07 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -148.05 179.41 7.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.416 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 31.2 t-20 177.61 64.66 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.251 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.02 137.54 21.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.9 p -59.97 157.71 12.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -52.08 -31.17 29.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.31 -45.01 77.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.7 -60.75 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 51' ' ' MET . 9.6 mt -45.98 -58.86 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -42.11 -44.06 3.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -38.71 92.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.507 ' N ' ' O ' ' A' ' 48' ' ' LEU . 45.8 mtp -70.15 -54.64 12.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.9 mt -45.2 -46.32 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -52.69 -38.31 60.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 51' ' ' MET . 13.0 mt-10 -60.85 -34.81 75.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.475 ' CG2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -111.2 32.97 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.417 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 4.0 t70 -157.76 103.27 1.89 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.07 -8.87 29.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.462 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -78.69 -35.69 44.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.417 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 77.92 33.54 41.15 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.462 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 51.4 p-10 -77.44 -20.82 53.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 104.5 -28.99 12.71 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.46 ' HG1' ' ND2' ' A' ' 60' ' ' ASN . 16.4 p -108.37 -176.6 3.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 110.421 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.475 HD13 ' CG2' ' A' ' 55' ' ' VAL . 1.1 mm -124.75 142.55 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.604 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.9 OUTLIER -108.53 -167.38 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.718 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 15.1 t80 -79.54 -44.33 1.61 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.718 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.99 -14.41 21.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' OE2' ' CG ' ' A' ' 64' ' ' ASP . 16.7 mt-10 -94.3 -25.13 17.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 71' ' ' MET . 0.4 OUTLIER -92.72 -36.97 12.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.463 HD23 ' CD1' ' A' ' 9' ' ' ILE . 9.2 mt -39.74 -38.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.469 HG22 ' CG1' ' A' ' 55' ' ' VAL . 2.6 t -59.37 -49.82 76.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.448 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -42.97 -51.86 5.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -49.32 77.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.96 -44.81 64.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -48.36 -36.05 13.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.991 ' OXT' ' CG ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -44.83 71.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -55.52 -43.4 72.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.45 ' N ' HG21 ' A' ' 9' ' ' ILE . . . -42.26 -36.71 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -69.52 -41.75 75.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 9' ' ' ILE . 48.3 m-85 -63.8 -34.74 78.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.567 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 2.4 mtmp? -40.19 -60.94 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -48.53 -40.72 27.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.244 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -53.31 -55.69 22.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.636 ' CE1' HD13 ' A' ' 27' ' ' ILE . 60.9 t80 -53.75 -32.2 51.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -59.53 -51.7 68.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.952 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -37.76 -54.55 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.476 ' CB ' HD11 ' A' ' 27' ' ' ILE . 63.0 m-85 -73.82 -45.18 52.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.481 ' HB2' HG12 ' A' ' 27' ' ' ILE . 15.6 t0 -83.99 83.87 7.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.44 -23.46 61.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.422 ' OD1' ' CD ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -74.23 -26.55 60.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 63.98 10.33 39.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -62.71 -34.66 77.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.784 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.32 1.63 8.51 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.572 1.17 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 43.1 p -135.5 142.53 45.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.636 HD13 ' CE1' ' A' ' 16' ' ' PHE . 92.4 mt -109.01 109.57 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.57 ' OG1' ' N ' ' A' ' 29' ' ' THR . 5.6 t -80.18 -151.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.441 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.57 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.4 p -90.03 -47.95 7.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.418 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -62.85 -27.14 69.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.438 ' CD ' ' CG2' ' A' ' 28' ' ' THR . 38.9 mt-10 -85.18 -17.7 36.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.436 ' CD2' HD21 ' A' ' 48' ' ' LEU . 1.4 tp -89.32 -35.82 15.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.48 -10.49 81.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.34 -60.03 2.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 0.754 . . . . 0.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 t -54.27 -28.05 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -40.8 64.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -19.67 42.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 m -113.41 40.76 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.73 24.39 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.81 6.17 71.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.122 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -108.96 174.7 5.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.402 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 57.2 t-20 176.36 65.23 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.01 139.62 24.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.782 . . . . 0.0 111.028 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.2 p -64.41 164.39 11.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.433 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -58.38 -22.38 53.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.27 -46.13 51.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.4 -60.9 3.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 51' ' ' MET . 8.3 mt -43.4 -58.58 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -42.71 -43.85 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -36.98 84.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 48' ' ' LEU . 21.6 mtp -73.66 -49.22 27.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 111.034 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.414 HG21 HG12 ' A' ' 63' ' ' ILE . 1.4 mt -51.36 -38.12 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -62.3 -22.54 66.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 51' ' ' MET . 19.7 mt-10 -77.57 -26.07 50.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.46 ' CG1' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -119.35 31.72 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -158.4 110.48 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.16 -9.13 21.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.456 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -78.17 -38.47 43.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.81 33.22 34.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.123 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.456 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 35.8 p-10 -78.39 -21.33 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.2 -35.75 4.83 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.442 1.089 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.43 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 10.5 p -101.02 178.38 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 0.736 . . . . 0.0 110.429 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.4 mm -121.65 139.63 48.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.62 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.2 m-20 -106.7 -171.13 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.702 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 9.9 t80 -75.11 -44.45 4.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.99 -11.02 21.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 64' ' ' ASP . 13.5 mt-10 -99.0 -28.51 13.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.345 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.539 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -89.51 -36.5 15.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.479 HD23 ' CD1' ' A' ' 9' ' ' ILE . 9.3 mt -38.16 -45.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.46 HG22 ' CG1' ' A' ' 55' ' ' VAL . 3.9 t -50.65 -52.65 37.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.4 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -41.88 -52.92 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.539 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.4 mmt -55.55 -52.41 63.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.06 -48.47 61.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.509 ' NE ' ' O ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -121.72 75.83 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -42.86 90.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -56.82 -42.66 78.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.452 ' N ' HG21 ' A' ' 9' ' ' ILE . . . -44.23 -38.61 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.1 -37.02 83.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 9' ' ' ILE . 9.7 m-85 -73.25 -32.88 64.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 5.8 mtmm -39.79 -58.69 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.5 -40.45 51.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -57.17 -53.84 53.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.614 ' CE1' HD13 ' A' ' 27' ' ' ILE . 56.0 t80 -58.64 -32.07 68.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 18' ' ' LEU . 22.8 m -62.62 -49.59 74.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -38.18 -51.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.466 ' CB ' HD11 ' A' ' 27' ' ' ILE . 49.9 m-85 -76.03 -47.14 25.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.29 102.01 4.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.94 35.08 3.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -114.03 -85.31 0.6 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.89 40.88 0.1 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.42 ' OD1' ' CG2' ' A' ' 26' ' ' THR . 2.1 p30 -124.16 -30.08 3.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.97 24.24 6.11 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.42 ' CG2' ' OD1' ' A' ' 24' ' ' ASP . 4.6 t -135.86 161.87 34.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.614 HD13 ' CE1' ' A' ' 16' ' ' PHE . 60.9 mt -129.05 102.83 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.572 ' OG1' ' N ' ' A' ' 29' ' ' THR . 5.3 t -78.1 -150.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.572 ' N ' ' OG1' ' A' ' 28' ' ' THR . 5.5 p -85.47 -53.37 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -54.45 -58.97 5.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -49.55 -26.06 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.81 -36.0 25.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 30' ' ' LYS . . . -85.52 7.87 74.44 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.596 1.185 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.43 -48.21 7.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 0.735 . . . . 0.0 110.402 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.59 -23.71 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -42.76 65.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -79.65 -2.67 43.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 t -99.42 13.6 32.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.07 -47.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.55 43.38 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -139.45 176.97 8.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.793 . . . . 0.0 110.27 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 176.41 68.43 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.069 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.4 28.92 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.0 p -60.98 154.81 21.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -52.92 -25.35 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.19 -45.35 70.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.41 -61.2 2.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 51' ' ' MET . 8.6 mt -45.96 -58.33 3.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -42.33 -44.46 3.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -38.97 93.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 48' ' ' LEU . 10.5 mtt -70.01 -52.25 25.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.445 ' CG2' HG12 ' A' ' 63' ' ' ILE . 7.0 mt -54.25 -28.38 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -75.44 -3.87 36.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 51' ' ' MET . 17.4 mt-10 -94.49 -29.37 14.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.484 HG13 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -115.7 34.73 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -155.07 89.45 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.37 -9.02 59.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.486 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -79.72 -35.83 38.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.17 35.35 53.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.461 1.101 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.486 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 35.0 p-10 -78.56 -21.96 47.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.59 -27.67 14.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.82 171.26 7.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.475 ' CD1' HG21 ' A' ' 55' ' ' VAL . 1.5 mm -116.0 142.81 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.582 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 48.8 m-20 -111.75 -168.11 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.698 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 7.5 t80 -79.29 -44.99 1.69 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.698 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.95 -13.68 21.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -94.28 -27.15 16.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -92.09 -38.35 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 111.022 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.486 HD23 ' CD1' ' A' ' 9' ' ' ILE . 9.8 mt -38.47 -41.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.484 ' CG2' HG13 ' A' ' 55' ' ' VAL . 3.7 t -54.0 -52.5 60.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -39.9 -49.22 2.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.98 -48.88 76.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.14 -44.27 83.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.88 63.03 0.65 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.76 -36.83 62.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -59.43 -48.7 86.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -38.71 -37.34 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -69.04 -51.48 38.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 9' ' ' ILE . 29.8 m-85 -47.01 -31.93 3.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.052 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' PHE . 71.3 mttt -40.36 -58.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -51.88 -42.25 62.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.83 -57.4 7.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.654 ' CE1' ' CD1' ' A' ' 27' ' ' ILE . 60.5 t80 -51.96 -36.69 50.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.8 t -57.91 -51.88 67.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -36.8 -51.73 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.252 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.48 ' CB ' HD12 ' A' ' 27' ' ' ILE . 58.6 m-85 -75.25 -45.58 39.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 32.4 t0 -80.62 88.63 5.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -59.91 -62.67 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -49.12 -23.07 1.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.122 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.459 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 56.68 18.76 25.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 7.5 p30 -61.23 -28.73 69.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 124.14 4.11 7.9 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 44.2 p -136.96 147.02 46.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.798 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.654 ' CD1' ' CE1' ' A' ' 16' ' ' PHE . 87.2 mt -114.63 115.8 50.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.539 ' OG1' ' N ' ' A' ' 29' ' ' THR . 7.3 t -88.37 -152.32 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.539 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.8 p -81.4 -55.41 4.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 32' ' ' LEU . 2.5 tttt -55.68 -60.82 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -45.92 -25.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.473 ' CD2' HD21 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -84.04 -48.44 9.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.408 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -70.35 -4.66 51.94 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -76.87 -66.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.407 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.401 ' N ' HG23 ' A' ' 34' ' ' THR . 2.4 t -49.95 -27.81 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -43.89 95.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.436 ' NH2' ' OD1' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -57.22 -17.89 13.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.2 -6.11 59.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.016 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.55 17.03 14.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.8 16.53 74.49 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -101.03 -179.21 3.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.436 ' OD1' ' NH2' ' A' ' 37' ' ' ARG . 15.5 t30 170.47 68.75 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 127.41 10.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.451 1.764 . . . . 0.0 110.963 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.8 p -44.64 161.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.427 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -58.94 -28.78 66.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.11 -44.5 79.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -59.99 -62.01 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 51' ' ' MET . 7.1 mt -43.74 -58.08 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -38.85 -44.1 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.15 -45.69 83.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.8 mtt -60.98 -42.66 98.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.439 ' CG2' HG12 ' A' ' 63' ' ' ILE . 5.6 mt -66.35 -29.05 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -90.69 7.51 39.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 51' ' ' MET . 1.2 mt-10 -98.08 -17.4 19.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.415 HG21 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -119.52 -40.19 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -72.9 106.77 4.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.02 -6.16 51.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.457 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -83.39 -33.59 25.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.48 33.7 55.66 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.457 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 48.7 p-10 -74.66 -22.74 58.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 109.14 -29.9 9.18 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 p -108.98 -177.43 3.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 0.737 . . . . 0.0 110.432 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.439 HG12 ' CG2' ' A' ' 52' ' ' ILE . 1.1 mm -123.82 141.13 45.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.625 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 15.8 m-20 -106.43 -169.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.707 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 16.9 t80 -78.33 -43.76 2.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.707 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.0 Cg_endo -75.07 -20.4 16.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.467 1.772 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.521 ' O ' ' CG2' ' A' ' 70' ' ' THR . 19.3 mt-10 -87.59 -22.54 24.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.577 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -92.77 -31.4 15.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 mt -47.8 -35.07 9.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -65.07 -36.66 85.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.424 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -59.07 -41.97 89.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.577 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.1 mmt -67.76 -40.75 84.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.82 -44.9 88.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.62 59.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -48.62 55.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -54.48 -46.95 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . -39.12 -38.03 0.44 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.158 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -67.83 -47.53 68.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 9' ' ' ILE . 45.2 m-85 -56.33 -31.83 64.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' PHE . 31.4 mttt -39.26 -65.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.097 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -45.29 -38.71 5.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -56.61 -55.73 30.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.644 ' CE1' HD13 ' A' ' 27' ' ' ILE . 79.9 t80 -57.86 -36.74 72.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 18' ' ' LEU . 8.5 t -56.38 -52.13 65.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -37.43 -53.13 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.484 ' CB ' HD11 ' A' ' 27' ' ' ILE . 51.9 m-85 -72.63 -46.86 51.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.507 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 17.4 t0 -80.81 92.37 6.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -67.28 -58.08 5.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -49.18 -23.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 59.51 15.58 32.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 36.8 p-10 -61.29 -32.01 71.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.41 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 127.29 -0.09 6.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 81.8 p -130.01 152.07 49.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.644 HD13 ' CE1' ' A' ' 16' ' ' PHE . 94.3 mt -119.45 102.88 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.535 ' OG1' ' N ' ' A' ' 29' ' ' THR . 7.4 t -76.61 -152.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.535 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.2 p -88.14 -45.35 10.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -40.89 97.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -71.76 -17.97 62.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.43 ' CD2' HD21 ' A' ' 48' ' ' LEU . 1.1 tp -91.39 -29.91 16.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.07 6.94 81.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -93.93 -64.17 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.78 . . . . 0.0 110.404 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 2.1 t -46.3 -25.85 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -69.71 -42.16 74.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' THR . 71.3 mtm180 -53.42 -21.66 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.247 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 m -109.79 30.14 6.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.62 20.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.09 20.77 75.12 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -120.71 173.63 7.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 0.737 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 175.55 66.53 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.07 33.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.5 p -70.5 161.14 31.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.425 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -54.54 -25.85 28.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.08 -48.84 56.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.24 -58.34 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 51' ' ' MET . 7.6 mt -45.23 -59.75 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -39.65 -49.17 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.48 -41.57 98.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' LEU . 9.1 mtp -66.86 -56.93 8.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.406 HG21 HG12 ' A' ' 63' ' ' ILE . 1.3 mt -44.55 -46.56 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -49.81 -37.87 32.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 51' ' ' MET . 15.3 mt-10 -59.54 -35.05 73.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.493 ' CG2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -113.11 32.28 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.251 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.28 100.47 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.23 -12.04 26.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.483 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -76.64 -40.83 47.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.06 32.42 26.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.483 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 35.1 p-10 -80.37 -18.34 49.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.779 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.65 -29.13 12.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.41 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 1.4 m -103.08 168.07 9.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 110.404 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.5 mm -114.46 141.73 29.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.623 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 25.8 m-20 -114.04 -173.02 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.685 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 7.9 t80 -72.94 -44.79 8.51 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.98 -9.55 20.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.46 ' CG ' ' HB2' ' A' ' 64' ' ' ASP . 1.2 mm-40 -99.12 -29.22 12.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.54 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -91.76 -35.65 14.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.483 HD23 ' CD1' ' A' ' 9' ' ' ILE . 12.4 mt -40.46 -38.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.486 ' CG2' HG13 ' A' ' 55' ' ' VAL . 2.1 t -58.97 -47.22 85.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -45.34 -58.96 2.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.54 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.1 mmt -55.05 -38.63 68.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.26 -45.54 76.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.68 57.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.428 ' NE2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -63.88 -54.17 39.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.475 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -48.11 -48.88 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.452 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -38.63 -37.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.428 ' CD ' ' NE2' ' A' ' 8' ' ' GLN . 52.3 mt-10 -67.92 -53.14 28.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 15' ' ' ALA . 8.1 m-85 -49.02 -28.65 4.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 1.3 mttm -39.77 -60.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -49.61 -40.15 38.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -52.16 -56.06 16.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.627 ' CE1' HD13 ' A' ' 27' ' ' ILE . 63.7 t80 -53.56 -32.93 52.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.7 m -57.52 -51.36 69.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -38.05 -58.95 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.47 ' CB ' HD11 ' A' ' 27' ' ' ILE . 66.0 m-85 -67.58 -46.25 73.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.43 ' HB2' HG12 ' A' ' 27' ' ' ILE . 5.5 t0 -79.63 94.59 5.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -88.58 9.43 24.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -105.94 -18.14 14.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.18 15.22 13.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 111.067 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 35.1 p-10 -74.53 -37.57 63.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.774 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 125.51 2.59 7.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.554 1.159 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.475 ' HB ' ' CG2' ' A' ' 62' ' ' THR . 19.5 p -132.3 146.01 51.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 110.374 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.627 HD13 ' CE1' ' A' ' 16' ' ' PHE . 90.0 mt -114.91 102.42 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 29' ' ' THR . 9.7 t -76.0 -152.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.504 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.5 p -86.74 -45.66 10.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.373 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -59.81 -48.33 82.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -62.61 -26.09 68.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 28' ' ' THR . 0.7 OUTLIER -83.72 -37.99 21.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.49 7.08 58.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.456 ' CG2' ' N ' ' A' ' 35' ' ' VAL . 0.7 OUTLIER -92.28 -69.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.403 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.456 ' N ' ' CG2' ' A' ' 34' ' ' THR . 2.6 t -46.39 -25.5 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' GLN . 0.9 OUTLIER -59.16 -43.99 92.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -0.51 23.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 m -94.99 -14.63 24.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.8 -31.49 6.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.11 43.61 0.18 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' MET . 21.4 mt-30 -133.81 175.15 9.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.426 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 11.0 t-20 176.88 64.02 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.01 159.31 41.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.9 p -73.09 173.36 9.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -71.95 -16.75 62.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.93 -45.8 23.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.91 -60.49 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 51' ' ' MET . 8.3 mt -42.51 -59.04 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -42.45 -42.44 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -39.1 84.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' LEU . 6.4 mtt -69.37 -56.62 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.8 mt -44.68 -46.52 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -50.76 -41.96 57.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 51' ' ' MET . 12.0 mt-10 -57.01 -34.48 68.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.522 ' CG2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -111.49 30.11 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -154.05 102.25 2.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.92 -11.27 26.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.464 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -76.89 -40.07 48.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.42 32.5 25.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.464 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 31.2 p-10 -81.06 -17.81 48.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.4 -29.45 11.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.475 ' CG2' ' HB ' ' A' ' 26' ' ' THR . 1.5 m -101.81 168.23 9.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.2 mm -115.34 131.73 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.651 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 27.0 m-20 -103.55 178.79 4.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.747 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 24.3 t80 -66.15 -44.45 59.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.747 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -75.08 -9.84 20.83 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.452 1.764 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.443 ' CG ' ' HB2' ' A' ' 64' ' ' ASP . 1.3 mm-40 -99.95 -28.94 12.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -89.89 -32.8 16.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.475 HD23 ' CD1' ' A' ' 9' ' ' ILE . 9.9 mt -41.62 -44.59 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.469 ' CG2' HG13 ' A' ' 55' ' ' VAL . 3.7 t -52.54 -46.97 66.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -47.02 -53.45 12.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.499 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.8 mmt -53.81 -50.87 65.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.75 -50.93 9.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 74' ' ' ARG . 24.8 mtm105 -92.09 48.63 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.8 -46.26 38.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -55.81 -39.57 56.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.424 ' N ' HG21 ' A' ' 9' ' ' ILE . . . -42.36 -40.23 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -66.39 -42.01 88.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 9' ' ' ILE . 56.3 m-85 -64.99 -34.46 78.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.534 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 14.8 mttt -40.67 -64.14 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -45.11 -38.92 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -58.22 -55.89 29.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.637 ' CE1' HD13 ' A' ' 27' ' ' ILE . 48.3 t80 -57.74 -31.68 66.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER -61.92 -49.02 77.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 109.99 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.5 -66.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.484 ' CB ' HD11 ' A' ' 27' ' ' ILE . 35.1 m-85 -56.37 -47.53 78.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.499 ' CG ' ' N ' ' A' ' 21' ' ' LYS . 1.8 t70 -68.78 169.4 11.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.499 ' N ' ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -178.28 37.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -137.09 10.64 3.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 37.49 29.05 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 22' ' ' ASP . 5.4 p-10 -98.89 -33.55 10.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.24 21.74 7.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.439 ' CG2' ' OD2' ' A' ' 24' ' ' ASP . 0.6 OUTLIER -133.77 160.67 36.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 110.383 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.637 HD13 ' CE1' ' A' ' 16' ' ' PHE . 67.8 mt -129.83 86.91 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.52 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.8 t -63.83 -154.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.408 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.52 ' N ' ' OG1' ' A' ' 28' ' ' THR . 3.4 p -89.29 -57.49 2.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.23 -33.47 5.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.416 ' CD ' ' OD1' ' A' ' 22' ' ' ASP . 33.5 mt-10 -76.98 -34.74 57.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.462 ' CD2' HD21 ' A' ' 48' ' ' LEU . 2.1 tp -72.05 -27.32 62.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.02 -2.31 64.55 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.82 -61.31 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 2.2 t -49.67 -27.79 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -44.14 85.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -55.49 -20.74 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 t -82.7 -7.2 59.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.52 9.6 15.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.47 23.58 67.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -109.61 179.91 4.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 176.58 72.21 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 139.91 24.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.773 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.6 p -59.23 161.19 5.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.346 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.84 -21.56 61.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.13 -45.21 61.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.79 -60.08 4.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 51' ' ' MET . 7.8 mt -45.99 -59.21 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -40.68 -44.94 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.39 -42.51 96.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.8 mtt -66.4 -58.15 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.3 mt -43.65 -48.11 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -48.62 -45.85 38.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -53.06 -36.0 60.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.524 ' CG2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -111.16 33.38 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -156.33 97.74 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.51 -11.08 32.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.474 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -77.92 -36.75 49.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.48 33.47 38.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.441 1.088 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.474 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 46.6 p-10 -78.71 -20.98 48.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 0.718 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 103.12 -28.26 16.52 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.424 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 10.3 p -106.55 170.29 8.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.1 mm -114.76 138.39 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.606 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 7.0 m-20 -106.5 -169.53 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.693 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 10.7 t80 -79.06 -44.2 1.74 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.693 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.5 Cg_endo -74.98 -13.91 21.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.459 1.768 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' A' ' 64' ' ' ASP . 16.4 mt-10 -94.76 -24.9 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.0 OUTLIER -93.46 -35.57 12.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.44 HD23 ' CD1' ' A' ' 9' ' ' ILE . 10.8 mt -41.7 -38.59 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.479 ' CG2' HG13 ' A' ' 55' ' ' VAL . 2.1 t -58.44 -45.37 88.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -46.49 -50.69 16.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 111.048 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.47 -43.54 98.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.36 -44.83 62.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 75' ' ' LYS . 4.3 mtp85 -97.66 48.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 74' ' ' ARG . 7.9 mtpt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -46.18 55.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -55.75 -42.26 69.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -45.08 -38.63 5.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -66.41 -37.67 85.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 15' ' ' ALA . 10.8 m-85 -72.86 -34.81 67.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.578 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 3.1 mtmm -37.91 -55.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -54.52 -44.33 72.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -49.82 -55.71 13.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.654 ' CE1' HD13 ' A' ' 27' ' ' ILE . 67.3 t80 -52.39 -32.82 40.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.5 t -60.24 -52.65 64.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -38.11 -58.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.475 ' CB ' HD11 ' A' ' 27' ' ' ILE . 38.4 m-85 -66.48 -42.87 86.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -79.17 91.76 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.92 21.9 8.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -118.89 -6.99 10.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.48 73.12 0.22 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 32.0 p-10 -137.53 -43.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 136.94 -7.13 3.8 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 11.4 p -121.79 165.94 15.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.414 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.654 HD13 ' CE1' ' A' ' 16' ' ' PHE . 90.0 mt -132.3 94.94 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.5 ' OG1' ' N ' ' A' ' 29' ' ' THR . 9.9 t -71.12 -154.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.5 ' N ' ' OG1' ' A' ' 28' ' ' THR . 12.5 p -87.04 -51.1 6.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.381 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.51 -36.43 66.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -76.57 -22.28 54.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.482 ' CD2' HD21 ' A' ' 48' ' ' LEU . 4.1 tp -83.19 -28.49 29.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 36' ' ' MET . . . -87.08 -38.05 8.06 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -42.09 -63.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.777 . . . . 0.0 110.38 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -46.97 -40.7 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.415 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -67.41 -40.55 85.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.983 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.424 ' CZ ' ' ND2' ' A' ' 42' ' ' ASN . 2.3 mmt180 -46.86 -33.82 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -112.66 42.32 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -147.68 35.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 57.34 16.83 22.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.418 ' O ' ' OD1' ' A' ' 42' ' ' ASN . 31.3 mt-30 -120.16 175.65 5.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 110.338 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.424 ' ND2' ' CZ ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER 177.99 64.68 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.4 Cg_endo -74.95 125.89 9.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.7 p -50.95 175.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.374 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.77 -14.93 62.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.72 -45.5 15.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.97 -58.48 8.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.482 HD21 ' CD2' ' A' ' 32' ' ' LEU . 9.2 mt -44.26 -59.11 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -41.42 -46.05 3.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -42.13 98.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 48' ' ' LEU . 8.4 mtt -65.02 -49.32 70.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.406 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 1.7 mt -61.04 -25.79 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -82.36 6.97 15.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 51' ' ' MET . 3.7 mt-10 -104.77 -21.27 13.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.455 ' CG2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -111.72 -44.27 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 21.2 t70 -75.71 105.51 6.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.27 -13.93 27.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.464 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -75.43 -36.22 60.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.89 32.27 33.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.1 . . . . 0.0 110.98 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.464 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 30.4 p-10 -79.48 -19.87 48.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.18 -37.25 3.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.123 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 m -97.5 165.72 11.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 110.415 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.8 mm -114.83 137.47 48.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.64 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.2 m-20 -110.17 -169.38 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.663 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 5.4 t80 -74.28 -44.07 5.93 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.663 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.94 -11.27 21.58 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' A' ' 64' ' ' ASP . 11.6 mt-10 -99.6 -21.2 15.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.541 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -98.39 -32.56 11.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.408 HD23 ' CD1' ' A' ' 9' ' ' ILE . 13.8 mt -46.49 -29.93 1.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.443 ' CG2' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -68.4 -39.18 81.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.377 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -55.96 -41.22 74.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.541 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.3 mmt -70.49 -41.29 72.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.73 91.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.57 63.39 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.03 -48.58 20.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -54.23 -44.09 63.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.21 -38.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.58 -43.8 79.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 9' ' ' ILE . 58.6 m-85 -62.28 -33.69 75.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 19.4 mttm -39.93 -62.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -47.1 -39.33 13.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -58.25 -56.87 16.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.666 ' CE1' HD13 ' A' ' 27' ' ' ILE . 28.7 t80 -50.69 -32.25 18.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.8 t -62.45 -53.49 54.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.948 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.504 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -35.85 -47.13 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.491 ' CB ' HD11 ' A' ' 27' ' ' ILE . 50.5 m-85 -83.58 -49.22 9.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.411 ' HB2' HG12 ' A' ' 27' ' ' ILE . 1.7 t70 -73.37 110.99 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.42 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -145.11 61.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -146.98 -47.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.435 ' N ' ' CG ' ' A' ' 22' ' ' ASP . . . 110.4 92.89 2.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 23' ' ' GLY . 17.0 p30 167.34 24.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.749 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 40.48 39.04 1.6 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 0.5 OUTLIER -143.34 156.81 44.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.384 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.666 HD13 ' CE1' ' A' ' 16' ' ' PHE . 77.8 mt -122.88 80.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' A' ' 29' ' ' THR . 9.8 t -58.73 -153.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.449 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.498 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.1 p -84.8 -61.92 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.43 -54.22 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.42 ' OE2' ' N ' ' A' ' 21' ' ' LYS . 49.1 mt-10 -56.71 -42.87 79.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.45 ' CD2' HD21 ' A' ' 48' ' ' LEU . 1.1 tp -65.91 -24.02 66.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.94 18.34 55.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.3 -44.5 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.754 . . . . 0.0 110.397 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 2.2 t -67.61 -25.92 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.25 -42.46 68.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 111.046 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -78.33 -2.42 38.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t -97.78 10.16 40.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.95 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.81 -72.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.28 34.64 0.08 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -132.35 -179.03 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 0.741 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 176.04 71.41 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 155.77 43.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.2 p -78.88 154.74 29.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.38 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.34 -22.84 1.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.352 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.14 -45.01 51.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.365 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.36 -59.9 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 51' ' ' MET . 6.2 mt -43.03 -57.91 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -43.02 -42.92 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -37.21 81.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 48' ' ' LEU . 7.5 mtp -72.49 -52.51 15.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 mt -46.83 -45.64 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -51.43 -32.62 27.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 51' ' ' MET . 29.2 mt-10 -63.15 -33.3 75.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.489 HG13 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -117.16 33.15 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.252 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.16 100.81 2.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.5 -9.1 30.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.504 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -79.32 -36.93 38.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.24 34.87 39.72 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.504 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 52.9 p-10 -79.85 -20.42 46.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.492 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 104.48 -28.56 14.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.435 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 6.1 t -108.34 172.29 6.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 110.397 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 1.5 mm -114.98 145.32 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.596 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 2.2 m-20 -114.19 -169.98 1.63 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.722 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 12.4 t80 -77.44 -44.81 2.62 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.722 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.03 -13.19 21.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.801 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 64' ' ' ASP . 1.1 mm-40 -94.37 -27.72 15.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -90.72 -36.87 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.97 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.447 HD23 ' CD1' ' A' ' 9' ' ' ILE . 8.9 mt -39.42 -43.88 1.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.489 ' CG2' HG13 ' A' ' 55' ' ' VAL . 3.3 t -51.84 -50.99 59.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.403 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -42.71 -56.7 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.474 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.4 mmt -54.77 -41.93 71.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.13 -44.33 21.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -104.71 60.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -53.46 54.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.477 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -48.01 -48.19 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.44 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -40.28 -38.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -72.19 -46.31 56.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.574 ' CD2' HD21 ' A' ' 69' ' ' LEU . 20.8 m-85 -52.36 -30.48 29.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' PHE . 7.7 mttm -40.31 -55.34 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -54.0 -42.68 69.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -51.28 -54.59 24.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.689 ' CE1' ' CD1' ' A' ' 27' ' ' ILE . 47.4 t80 -51.78 -33.64 36.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.3 m -61.63 -52.12 65.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.986 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -36.11 -57.11 0.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.485 ' CB ' HD11 ' A' ' 27' ' ' ILE . 4.0 m-30 -67.87 -45.56 74.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.402 ' HB2' HG12 ' A' ' 27' ' ' ILE . 2.2 t70 -73.47 85.93 1.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.73 19.93 4.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -116.28 -10.53 11.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 44.58 74.76 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.403 ' OD2' ' OG1' ' A' ' 26' ' ' THR . 8.9 p-10 -139.62 -43.91 0.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 0.779 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.49 -8.98 3.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 7.0 p -120.64 169.74 10.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 0.717 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.689 ' CD1' ' CE1' ' A' ' 16' ' ' PHE . 71.3 mt -135.62 107.86 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.583 ' OG1' ' N ' ' A' ' 29' ' ' THR . 4.8 t -80.92 -149.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.583 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.1 p -90.85 -52.8 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -56.78 -31.65 64.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -80.61 -17.16 52.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.458 ' CD2' HD21 ' A' ' 48' ' ' LEU . 1.1 tp -91.38 -30.56 16.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.07 1.62 70.67 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.23 -34.33 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -83.78 -25.16 7.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -35.48 69.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.74 13.26 7.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.97 -37.08 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.35 -76.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.14 30.7 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.465 1.103 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -127.88 -176.68 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.431 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 33.2 t30 177.1 63.79 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.02 139.8 24.66 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.8 p -58.12 178.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.392 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.14 -20.32 60.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.83 -46.32 25.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -56.78 -57.48 12.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.238 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.458 HD21 ' CD2' ' A' ' 32' ' ' LEU . 7.6 mt -46.72 -60.65 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' LEU . 15.6 tp60 -37.44 -40.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.459 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 0.3 OUTLIER -71.81 -51.12 24.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' LEU . 22.2 mtt -52.16 -33.85 42.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.426 ' O ' HD12 ' A' ' 63' ' ' ILE . 2.4 mt -70.67 -51.17 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.544 ' C ' ' OD1' ' A' ' 53' ' ' ASN . 21.1 p30 -76.31 -0.16 21.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 1.2 mm-40 -84.46 -19.1 33.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.472 ' CG1' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -118.73 -43.72 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 109.346 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -66.12 122.41 17.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.11 -6.88 17.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.491 ' OD2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -81.33 -36.49 29.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.91 30.92 45.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.491 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 43.2 p-10 -72.96 -22.37 60.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.31 -26.88 18.87 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.8 p -110.76 178.45 4.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 0.749 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -119.98 137.86 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.613 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 5.3 m-20 -101.91 -169.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.691 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 13.4 t80 -78.13 -44.06 2.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.691 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.03 -25.67 11.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.441 1.758 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.521 ' O ' ' CG2' ' A' ' 70' ' ' THR . 26.8 mt-10 -81.84 -21.59 37.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -91.79 -34.38 14.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.574 HD21 ' CD2' ' A' ' 12' ' ' PHE . 4.9 mt -43.37 -44.03 5.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -52.8 -46.47 67.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.424 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -44.5 48.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -42.33 95.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.1 -47.06 81.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -108.38 60.04 0.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -73.31 -45.7 53.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.476 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -56.66 -47.47 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.427 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -39.94 -39.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -69.46 -46.39 66.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.475 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 7.5 m-85 -56.48 -30.06 62.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 111.047 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 15.8 mttp -39.7 -64.07 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -46.17 -38.66 8.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 12' ' ' PHE . . . -52.48 -55.43 22.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.632 ' CE1' HD13 ' A' ' 27' ' ' ILE . 66.4 t80 -53.47 -36.37 61.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.4 t -57.16 -52.24 66.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.961 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -36.89 -45.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.472 ' CB ' HD11 ' A' ' 27' ' ' ILE . 43.0 m-85 -83.8 -45.64 13.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.497 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 19.2 t0 -83.18 87.88 6.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -58.62 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.41 ' OD2' ' CD ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -49.29 -23.29 1.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 59.87 15.45 35.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 41.8 p-10 -59.35 -33.94 71.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.776 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.458 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 128.04 -0.59 6.63 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.3 p -132.23 146.33 51.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 110.387 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.632 HD13 ' CE1' ' A' ' 16' ' ' PHE . 87.4 mt -113.19 101.96 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.549 ' OG1' ' N ' ' A' ' 29' ' ' THR . 6.5 t -74.97 -152.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.362 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.549 ' N ' ' OG1' ' A' ' 28' ' ' THR . 25.1 p -89.3 -49.63 6.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.398 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -30.9 65.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.41 ' CD ' ' OD2' ' A' ' 22' ' ' ASP . 1.4 mm-40 -80.43 -25.17 39.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.485 ' CD2' HD21 ' A' ' 48' ' ' LEU . 2.6 tp -80.97 -20.1 42.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.16 23.13 32.86 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.424 ' HA ' ' NE ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -111.41 -30.89 7.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 110.355 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 2.3 t -82.95 -25.72 8.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -42.93 65.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.424 ' NE ' ' HA ' ' A' ' 34' ' ' THR . 6.1 ptp180 -58.42 -17.07 17.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 m -92.4 6.27 47.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.988 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.8 1.98 8.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.94 28.03 22.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.67 -178.94 3.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 110.362 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.8 t30 175.69 72.17 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 138.44 22.98 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.8 p -60.51 156.53 16.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.385 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -52.86 -28.39 22.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.84 -44.7 80.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -58.77 -61.77 2.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 51' ' ' MET . 8.8 mt -45.03 -59.27 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -41.46 -42.43 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.281 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -40.73 82.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' LEU . 10.1 mtp -67.28 -58.46 4.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.9 mt -43.25 -47.45 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -50.66 -41.9 55.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' MET . 11.9 mt-10 -58.08 -30.82 66.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.511 ' CG2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -115.11 32.55 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.35 104.48 2.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.41 -14.35 22.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.483 ' OD2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -73.11 -44.08 60.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.32 30.19 17.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.483 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 50.3 p-10 -81.07 -17.99 48.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 97.7 -30.72 8.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.413 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 2.6 p -98.41 167.61 10.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.1 mm -116.09 130.89 70.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.634 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.6 m-20 -102.11 -174.59 2.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.721 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 7.9 t80 -68.5 -45.16 36.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.721 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -74.99 -9.23 20.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.52 ' O ' ' CG2' ' A' ' 70' ' ' THR . 1.5 mm-40 -99.89 -27.54 13.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.581 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -93.18 -31.33 14.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.476 HD23 ' CD1' ' A' ' 9' ' ' ILE . 12.8 mt -46.46 -31.23 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.52 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -69.57 -37.42 76.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -54.88 -59.45 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.581 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -52.54 -39.65 61.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.02 -55.75 29.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -117.93 71.37 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 1.016 ' OXT' ' CG ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.45 -43.33 99.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.486 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -55.81 -47.93 78.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.431 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -42.38 -36.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -70.44 -43.02 70.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 9' ' ' ILE . 4.0 m-85 -61.86 -32.17 72.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.551 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 72.8 mttt -38.25 -59.18 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -51.04 -42.34 60.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -49.42 -53.33 23.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.617 ' CE1' HD13 ' A' ' 27' ' ' ILE . 77.0 t80 -53.05 -36.91 61.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -54.55 -52.57 61.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.982 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.469 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -35.79 -51.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.467 ' CB ' HD11 ' A' ' 27' ' ' ILE . 67.8 m-85 -76.53 -42.84 41.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.509 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 24.8 t0 -86.66 93.12 9.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -60.16 3.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -49.47 -24.23 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 61.68 16.95 52.87 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 35.7 p-10 -60.75 -33.67 73.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 130.23 -11.79 5.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.9 p -121.08 146.55 46.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.617 HD13 ' CE1' ' A' ' 16' ' ' PHE . 78.5 mt -113.86 105.92 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.516 ' OG1' ' N ' ' A' ' 29' ' ' THR . 9.3 t -76.77 -152.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.358 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.516 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.9 p -83.06 -57.69 3.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 34' ' ' THR . 3.5 tttt -51.72 -55.7 18.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -53.92 -20.68 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.471 ' CD2' HD21 ' A' ' 48' ' ' LEU . 1.7 tp -88.02 -42.99 12.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.7 -10.83 85.98 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 30' ' ' LYS . 0.8 OUTLIER -71.64 -67.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 110.431 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 2.1 t -45.26 -31.63 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -44.92 89.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -69.21 -26.48 64.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.3 p -88.0 3.51 48.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.26 -78.52 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.39 34.97 0.08 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -137.21 -175.66 4.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 t30 176.99 65.54 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.422 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 18.1 Cg_endo -75.08 144.0 29.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.456 1.767 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.5 p -70.78 162.6 28.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -55.84 -19.2 10.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.86 -45.93 19.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.45 -61.44 2.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 51' ' ' MET . 9.4 mt -41.72 -57.82 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 48' ' ' LEU . 2.9 tp60 -38.06 -43.85 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.38 -44.2 68.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 48' ' ' LEU . 13.0 mtt -61.72 -38.54 88.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.403 ' O ' HD13 ' A' ' 63' ' ' ILE . 1.8 mt -65.44 -50.74 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -62.83 -40.31 97.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -40.7 -34.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.443 HG21 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -111.91 -49.27 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 1.6 t70 -62.56 95.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.41 -8.55 50.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.469 ' OD2' ' CB ' ' A' ' 60' ' ' ASN . 4.8 p-10 -77.87 -26.89 49.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 53.95 38.24 59.84 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.445 1.09 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.469 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 2.8 p-10 -102.63 -5.01 24.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 0.799 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.492 ' C ' ' CG2' ' A' ' 62' ' ' THR . . . 97.55 143.4 14.84 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.492 ' CG2' ' C ' ' A' ' 61' ' ' GLY . 1.0 OUTLIER 65.66 172.56 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 110.421 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -123.71 135.17 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.642 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 12.7 m-20 -103.39 -173.34 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.702 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 5.8 t80 -66.4 -45.01 58.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.96 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.96 -9.07 20.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.467 ' O ' ' CG2' ' A' ' 70' ' ' THR . 3.0 mm-40 -100.84 -27.45 13.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.573 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -93.66 -30.05 15.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.486 HD23 ' CD1' ' A' ' 9' ' ' ILE . 11.0 mt -46.0 -32.8 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -69.63 -38.29 77.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -52.81 -53.17 52.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.573 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -57.98 -43.99 86.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.51 -46.75 70.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -111.87 62.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.449 ' CA ' ' OE1' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -76.23 -50.47 14.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -54.06 -43.34 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -42.63 -39.95 2.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -65.56 -41.17 93.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 9' ' ' ILE . 49.4 m-85 -66.53 -35.9 81.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.574 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 13.3 mttt -39.4 -58.38 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -50.83 -41.62 57.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -55.91 -54.99 38.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.623 ' CE1' HD13 ' A' ' 27' ' ' ILE . 41.1 t80 -53.72 -31.53 48.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -61.33 -50.85 71.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -39.48 -61.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.469 ' CB ' HD11 ' A' ' 27' ' ' ILE . 49.6 m-85 -64.73 -45.81 84.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 3.7 t70 -76.87 84.33 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.96 22.52 5.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -115.73 -13.88 11.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.02 79.81 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 7.0 p-10 -146.85 -41.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 0.817 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 128.06 6.69 4.81 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.142 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 0.7 OUTLIER -137.54 152.93 49.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.405 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.623 HD13 ' CE1' ' A' ' 16' ' ' PHE . 71.4 mt -118.87 102.61 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.549 ' OG1' ' N ' ' A' ' 29' ' ' THR . 6.7 t -74.81 -152.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.423 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.549 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.1 p -89.18 -51.64 5.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 110.412 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.59 -31.76 66.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -79.61 -24.47 41.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.447 ' CD2' HD21 ' A' ' 48' ' ' LEU . 1.9 tp -82.26 -27.59 32.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.92 0.5 60.69 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.04 -39.53 21.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.357 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -73.97 -25.12 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.02 -39.89 60.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -78.48 -9.24 59.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.14 -11.6 57.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.048 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.04 -77.25 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.56 31.99 0.1 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -125.05 -176.49 3.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 110.245 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.5 t30 176.09 70.29 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 124.08 8.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.483 1.78 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.7 p -50.27 156.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -52.45 -30.57 30.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.49 -44.05 92.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.7 -62.95 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 51' ' ' MET . 12.1 mt -44.32 -59.17 2.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -40.79 -44.68 2.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -39.63 88.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.513 ' N ' ' O ' ' A' ' 48' ' ' LEU . 59.1 mtp -70.0 -54.67 12.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -45.54 -45.65 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -52.55 -36.21 55.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 51' ' ' MET . 10.1 mt-10 -63.07 -31.22 72.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.472 ' CG2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -115.89 34.26 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -158.66 95.29 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.89 -8.42 49.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -80.6 -35.66 33.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.52 34.49 49.76 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 40.9 p-10 -77.11 -21.46 54.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.13 -29.12 11.1 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.442 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 43.7 p -109.59 -178.45 3.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 0.738 . . . . 0.0 110.377 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.472 HD13 ' CG2' ' A' ' 55' ' ' VAL . 1.2 mm -121.49 145.64 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.6 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.2 m-20 -113.27 -170.14 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.704 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 9.1 t80 -76.37 -44.99 3.5 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.704 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.97 -13.0 21.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.428 ' CG ' ' HB2' ' A' ' 64' ' ' ASP . 0.9 OUTLIER -95.26 -26.7 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.548 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -91.99 -38.01 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.475 HD23 ' CD1' ' A' ' 9' ' ' ILE . 11.1 mt -38.63 -42.02 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.464 HG22 ' CG1' ' A' ' 55' ' ' VAL . 3.2 t -56.31 -50.03 72.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.444 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -42.98 -52.0 5.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.548 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -58.37 -48.98 78.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.46 -44.84 46.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -116.83 68.76 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -65.52 -53.2 45.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -49.31 -48.66 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . -36.93 -39.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -68.15 -52.72 31.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 9' ' ' ILE . 37.8 m-85 -45.75 -26.26 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -41.87 -59.24 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.63 -44.64 63.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.35 -55.86 8.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.649 ' CE1' HD13 ' A' ' 27' ' ' ILE . 58.3 t80 -53.95 -34.07 58.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -59.17 -50.29 74.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -36.77 -53.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.492 ' CB ' HD11 ' A' ' 27' ' ' ILE . 75.4 m-85 -75.14 -44.61 46.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.498 ' HB2' HG12 ' A' ' 27' ' ' ILE . 22.0 t0 -82.67 87.96 6.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -63.04 -59.15 5.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.64 -22.57 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.47 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 56.99 16.38 17.9 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 p30 -60.52 -27.33 67.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.6 7.98 8.57 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 12.1 p -139.7 149.79 44.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 110.424 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.649 HD13 ' CE1' ' A' ' 16' ' ' PHE . 82.4 mt -116.77 108.09 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.37 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.586 ' OG1' ' N ' ' A' ' 29' ' ' THR . 5.0 t -79.77 -150.84 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.394 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.586 ' N ' ' OG1' ' A' ' 28' ' ' THR . 15.8 p -89.62 -47.87 7.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.456 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -61.51 -41.09 96.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -69.24 -21.89 63.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.459 HD22 ' CD2' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -86.35 -37.64 18.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.27 6.44 76.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.35 -61.94 1.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 110.422 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 t -50.47 -25.5 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -29.8 68.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.458 ' NH2' ' CG ' ' A' ' 42' ' ' ASN . 1.3 mmt180 -50.72 -52.79 37.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.6 m -52.52 -29.85 27.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -92.87 36.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 38.03 29.7 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' LEU . 10.3 mt-30 -105.89 -178.29 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 0.739 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.458 ' CG ' ' NH2' ' A' ' 37' ' ' ARG . 14.7 t-20 170.17 74.11 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 130.82 13.58 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.82 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.2 p -50.2 155.82 0.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.447 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -52.41 -34.81 49.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.29 98.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -61.77 2.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 51' ' ' MET . 8.0 mt -45.59 -57.9 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -42.74 -41.75 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.251 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -39.67 82.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.2 mtt -67.89 -55.82 11.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.412 ' O ' HD12 ' A' ' 63' ' ' ILE . 5.1 mt -44.66 -46.63 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -51.41 -50.29 59.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -51.42 -33.65 31.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.483 HG13 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -110.06 34.51 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -159.17 108.87 1.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.99 -10.01 20.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.483 ' OD2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -77.7 -42.82 33.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.13 31.24 23.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.483 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 29.6 p-10 -79.02 -17.73 54.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.2 -28.98 12.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.5 m -103.12 169.22 8.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 0.778 . . . . 0.0 110.399 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.1 mm -113.9 139.15 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.618 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.1 m-20 -105.81 -170.8 1.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.704 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 19.7 t80 -78.18 -43.85 2.18 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.704 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.1 Cg_endo -75.02 -18.4 18.71 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -89.53 -25.04 21.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.544 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -90.32 -33.48 16.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 9' ' ' ILE . 11.6 mt -39.76 -45.64 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.483 ' CG2' HG13 ' A' ' 55' ' ' VAL . 3.8 t -51.9 -47.9 64.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.406 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -47.31 -53.25 14.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.544 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.0 mmt -52.54 -49.02 65.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.3 -52.88 9.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.489 ' O ' ' OXT' ' A' ' 75' ' ' LYS . 24.3 mtm180 -116.15 74.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.489 ' OXT' ' O ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.289 -0.264 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -54.31 27.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.47 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -48.09 -48.97 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.441 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -37.7 -38.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.24 -52.54 32.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' ILE . 34.2 m-85 -44.8 -26.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -43.84 -51.63 7.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -58.27 -41.51 84.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.244 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.63 -54.07 38.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.601 ' CE1' HD13 ' A' ' 27' ' ' ILE . 47.4 t80 -53.25 -35.58 60.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' LEU . 15.2 m -58.64 -50.45 73.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -35.55 -52.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.494 ' CB ' HD11 ' A' ' 27' ' ' ILE . 53.8 m-85 -76.27 -47.19 24.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.498 ' HB2' HG12 ' A' ' 27' ' ' ILE . 14.3 t0 -80.26 89.53 5.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -67.06 -54.35 22.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.62 -23.86 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.92 15.97 30.13 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.445 ' OD2' ' CG2' ' A' ' 26' ' ' THR . 11.5 p-10 -61.59 -31.45 71.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 0.733 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.46 4.93 7.38 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.445 ' CG2' ' OD2' ' A' ' 24' ' ' ASP . 1.4 t -137.12 154.61 50.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 110.406 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.601 HD13 ' CE1' ' A' ' 16' ' ' PHE . 85.3 mt -121.05 111.58 32.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.556 ' OG1' ' N ' ' A' ' 29' ' ' THR . 6.3 t -84.18 -150.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.556 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.1 p -86.95 -48.85 7.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.384 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -52.3 66.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -58.4 -23.47 57.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.358 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 28' ' ' THR . 0.9 OUTLIER -85.88 -38.94 17.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.428 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -82.01 -1.36 90.28 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.535 1.147 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -82.94 -67.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 110.389 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 t -43.73 -26.97 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.432 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -67.1 -44.71 79.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.447 ' NH2' ' OD1' ' A' ' 42' ' ' ASN . 1.9 mtt-85 -53.75 -26.42 23.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.23 -1.56 37.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.51 15.97 11.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.77 19.22 76.56 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -106.12 176.06 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.447 ' OD1' ' NH2' ' A' ' 37' ' ' ARG . 30.3 t-20 176.46 72.0 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 132.56 15.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.1 p -48.08 169.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 110.37 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.45 -23.64 65.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.47 -44.51 67.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.27 -62.36 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 51' ' ' MET . 7.3 mt -42.34 -58.71 2.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -39.56 -46.58 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -44.51 95.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 48' ' ' LEU . 6.0 mtt -62.45 -41.94 99.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.423 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 5.4 mt -63.28 -32.95 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -83.95 -10.75 57.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 51' ' ' MET . 2.3 mt-10 -80.78 -14.61 57.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.484 HG13 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -122.04 -42.74 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 27.3 t70 -74.77 112.54 11.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.99 -8.03 26.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.448 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -80.22 -36.49 34.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.23 32.96 41.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.448 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 35.8 p-10 -76.37 -21.68 55.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.84 -38.4 3.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.1 p -101.38 179.21 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 0.81 . . . . 0.0 110.389 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.46 ' CD1' HG21 ' A' ' 55' ' ' VAL . 1.3 mm -119.74 144.09 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.62 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 50.4 m-20 -109.4 -170.94 1.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.704 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 35.3 t80 -77.6 -43.96 2.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.704 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -75.06 -20.97 16.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.475 1.776 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.32 -26.83 26.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.442 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -87.27 -29.86 21.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 111.009 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 9' ' ' ILE . 7.9 mt -45.89 -55.89 6.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.484 ' CG2' HG13 ' A' ' 55' ' ' VAL . 8.8 t -40.36 -49.83 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.47 ' HA ' ' CG ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -49.92 -39.09 39.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 111.049 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' LEU . 1.5 mmt -70.89 -33.66 70.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.43 -39.01 59.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.47 ' CG ' ' HA ' ' A' ' 71' ' ' MET . 0.8 OUTLIER -88.93 37.69 0.85 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -49.92 23.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.502 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -54.56 -46.39 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . -37.56 -37.92 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -70.77 -50.73 32.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 9' ' ' ILE . 34.6 m-85 -46.91 -31.52 3.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 4.2 mttp -39.6 -59.06 1.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -50.94 -41.9 59.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -49.12 -55.71 11.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.613 ' CE1' HD13 ' A' ' 27' ' ' ILE . 64.8 t80 -51.56 -34.09 35.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.3 m -56.56 -51.68 67.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -38.43 -54.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.477 ' CB ' HD11 ' A' ' 27' ' ' ILE . 56.8 m-85 -72.11 -45.71 59.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.107 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.499 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 25.5 t0 -83.45 95.96 8.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' A' ' 23' ' ' GLY . 13.2 tttt -67.32 -60.81 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 1.5 p-10 -49.35 -22.78 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 57.92 16.19 23.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.551 1.157 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 48.3 p-10 -60.84 -27.55 68.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 0.746 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 121.87 9.05 7.07 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.1 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 3.0 p -137.98 152.7 49.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 0.794 . . . . 0.0 110.371 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.613 HD13 ' CE1' ' A' ' 16' ' ' PHE . 81.7 mt -122.43 104.6 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.6 t -77.73 -152.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.521 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.2 p -81.64 -56.64 3.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.413 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 33' ' ' GLY . 14.4 tttt -52.89 -60.14 3.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -49.67 -23.12 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.473 ' CD2' HD21 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -88.34 -33.35 18.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' LYS . . . -87.58 -3.51 80.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -81.4 -68.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.417 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 2.2 t -42.81 -27.59 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.436 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.1 OUTLIER -64.63 -45.84 85.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' THR . 2.8 mtm180 -67.76 -16.27 64.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -98.23 15.38 24.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.132 . . . . 0.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.88 -46.45 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.19 42.45 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.436 ' NE2' ' SD ' ' A' ' 36' ' ' MET . 11.8 mt-30 -139.52 179.95 6.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.783 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.418 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 55.8 t-20 176.26 64.43 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.01 127.18 10.47 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.5 1.789 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.4 p -48.22 157.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.377 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.7 -27.41 40.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.96 -44.06 70.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.48 -61.04 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 51' ' ' MET . 7.3 mt -42.41 -58.07 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -43.3 -45.8 6.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.306 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -36.2 83.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.7 mtt -74.55 -45.71 43.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.42 HG21 HG12 ' A' ' 63' ' ' ILE . 1.4 mt -54.5 -32.0 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -74.31 -18.51 60.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' MET . 6.5 mt-10 -85.8 -16.03 40.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.464 ' CG1' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -124.53 36.28 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -170.06 123.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.52 11.9 38.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.479 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -111.56 -33.14 6.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 50.59 42.83 45.02 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.479 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 21.9 p-10 -71.96 -20.63 61.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 0.753 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.24 16.56 6.08 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.441 1.088 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -160.48 164.67 32.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 110.379 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' ILE . 2.3 mm -112.32 139.96 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.651 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.6 m-20 -115.8 -174.17 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.72 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 17.0 t80 -68.25 -44.53 37.23 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.05 -7.18 18.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.782 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' CG ' ' HB2' ' A' ' 64' ' ' ASP . 1.2 mm-40 -103.42 -33.88 8.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.536 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -85.73 -34.14 21.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.502 HD23 ' CD1' ' A' ' 9' ' ' ILE . 8.9 mt -37.13 -47.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.464 HG22 ' CG1' ' A' ' 55' ' ' VAL . 9.9 t -50.36 -52.27 38.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.435 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -40.83 -47.77 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.536 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -67.33 -40.79 85.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.95 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.52 -45.39 87.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -117.96 66.0 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -80.27 -42.64 22.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.471 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -61.92 -36.08 71.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.69 -39.32 5.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.51 -37.95 83.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 9' ' ' ILE . 4.8 m-85 -68.78 -33.31 73.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 32.3 mttt -39.99 -63.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -45.24 -37.54 4.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -58.26 -53.59 56.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.641 ' CE1' HD13 ' A' ' 27' ' ' ILE . 66.2 t80 -61.17 -34.66 75.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.2 m -58.74 -50.51 73.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.476 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -38.19 -51.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.48 ' CB ' HD11 ' A' ' 27' ' ' ILE . 69.8 m-85 -75.52 -48.2 23.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.489 ' HB2' HG12 ' A' ' 27' ' ' ILE . 7.9 t0 -81.41 95.11 6.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.15 -51.58 13.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -50.61 -22.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.67 14.48 29.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -63.08 -29.7 71.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.43 13.37 6.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.57 1.169 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 66.8 p -142.68 153.47 43.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 110.402 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.641 HD13 ' CE1' ' A' ' 16' ' ' PHE . 73.6 mt -123.05 106.34 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.544 ' OG1' ' N ' ' A' ' 29' ' ' THR . 5.4 t -79.06 -142.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.544 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.0 p -93.46 -50.08 5.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -52.99 62.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -59.11 -21.52 59.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.463 ' CD2' HD21 ' A' ' 48' ' ' LEU . 2.6 tp -85.11 -32.12 22.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.62 -5.66 74.48 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 37' ' ' ARG . 1.4 m -77.83 -64.99 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 110.4 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 2.2 t -45.88 -26.78 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -42.91 73.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.432 ' CZ ' ' OD1' ' A' ' 42' ' ' ASN . 2.0 mtt-85 -54.56 -26.6 33.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -73.88 -20.01 60.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.41 22.6 14.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 63.09 26.86 69.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.453 1.095 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -110.57 177.97 4.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.744 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.432 ' OD1' ' CZ ' ' A' ' 37' ' ' ARG . 14.4 t-20 175.86 73.63 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 144.66 30.45 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.0 p -62.6 156.83 22.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -54.4 -30.06 50.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.53 82.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.43 -59.85 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 51' ' ' MET . 7.6 mt -48.01 -59.02 3.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -41.35 -41.54 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -41.59 83.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.4 mtt -66.89 -55.22 15.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.3 mt -45.15 -50.37 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -47.72 -43.01 26.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -52.53 -38.31 59.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.486 ' CG2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -112.94 35.78 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -155.12 92.59 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.96 -12.19 42.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.465 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -76.41 -40.22 51.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.0 32.6 25.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.465 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 33.1 p-10 -80.76 -17.99 49.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.87 -30.31 10.01 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.409 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 1.1 m -101.43 168.26 9.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 110.428 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.516 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.2 mm -114.82 139.52 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.608 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 36.5 m-20 -111.42 -172.14 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.678 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 7.6 t80 -75.16 -44.76 4.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.678 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -75.03 -10.81 21.33 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.446 ' CG ' ' HB2' ' A' ' 64' ' ' ASP . 1.4 mm-40 -97.07 -28.32 14.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.329 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -93.11 -36.83 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.471 HD23 ' CD1' ' A' ' 9' ' ' ILE . 12.4 mt -38.66 -40.03 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.442 ' CG2' HG13 ' A' ' 55' ' ' VAL . 3.5 t -57.68 -51.61 68.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -39.13 -51.09 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.6 mmt -62.34 -49.23 76.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.68 -43.84 72.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -123.8 73.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.981 ' HG2' ' OXT' ' A' ' 75' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -47.91 71.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.488 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -53.1 -51.79 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.488 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -38.94 -37.92 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.44 -49.53 54.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 9' ' ' ILE . 22.0 m-85 -51.28 -29.94 16.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' PHE . 38.7 mttt -39.65 -63.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -47.75 -42.69 26.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.95 -57.03 8.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.643 ' CE1' ' CD1' ' A' ' 27' ' ' ILE . 71.9 t80 -53.63 -35.98 61.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.5 t -57.64 -51.07 71.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -38.39 -51.42 1.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.478 ' CB ' HD12 ' A' ' 27' ' ' ILE . 60.6 m-85 -74.77 -43.9 52.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.48 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 30.6 t0 -83.44 95.49 8.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.409 ' C ' ' N ' ' A' ' 23' ' ' GLY . 1.8 tmtt? -65.67 -62.34 1.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -48.88 -23.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 57.93 17.06 27.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 35.7 p-10 -60.55 -29.09 68.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 124.02 4.7 7.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 31.0 p -136.37 146.93 47.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.643 ' CD1' ' CE1' ' A' ' 16' ' ' PHE . 83.2 mt -114.85 121.54 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.517 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.6 t -96.26 -154.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.415 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.517 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.5 p -79.99 -56.55 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.434 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -54.37 -60.33 3.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -43.29 -34.98 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.454 ' CD2' HD21 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -75.5 -53.6 8.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.41 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -60.97 -13.28 33.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.408 ' C ' ' N ' ' A' ' 36' ' ' MET . 0.9 OUTLIER -70.14 -70.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.399 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.406 ' N ' HG23 ' A' ' 34' ' ' THR . 2.4 t -48.06 -24.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.408 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -70.95 -43.59 67.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.41 ' NE ' ' O ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -68.33 -22.38 64.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.319 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -103.25 42.87 1.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.04 -44.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.14 42.74 0.09 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.117 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -143.42 177.49 8.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.793 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.42 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 7.5 t-20 176.46 64.37 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.03 120.36 6.03 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.477 1.777 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.5 p -41.21 157.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.363 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.59 -29.26 58.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.86 -47.21 66.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.73 -57.77 10.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 51' ' ' MET . 5.9 mt -46.46 -57.64 4.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -38.57 -45.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.236 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -44.86 78.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' LEU . 6.2 mtt -61.19 -39.77 91.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.401 ' CG2' HG12 ' A' ' 63' ' ' ILE . 4.0 mt -73.45 -29.21 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -86.13 10.62 13.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 51' ' ' MET . 1.5 mt-10 -98.44 -20.82 16.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.441 HG21 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -117.31 -39.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.406 ' OD1' ' OD2' ' A' ' 58' ' ' ASP . 11.1 t0 -69.78 84.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.68 -11.39 59.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.482 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -80.56 -29.31 37.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.56 33.3 61.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.482 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 47.3 p-10 -74.6 -23.32 58.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 109.23 -34.31 5.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.411 HG21 ' ND2' ' A' ' 60' ' ' ASN . 5.3 t -106.33 -173.78 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.41 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.441 ' CD1' HG21 ' A' ' 55' ' ' VAL . 1.1 mm -127.46 140.61 48.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.616 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 8.3 m-20 -108.64 -167.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.739 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 15.9 t80 -76.92 -44.44 2.92 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -75.04 -14.5 21.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.493 ' O ' ' CG2' ' A' ' 70' ' ' THR . 2.1 mm-40 -91.67 -29.45 16.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -89.85 -29.5 18.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.3 mt -47.44 -36.41 9.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -68.9 -37.81 79.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -48.07 69.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.57 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.0 mmt -63.89 -47.46 80.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.4 -46.01 87.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -109.03 58.7 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -47.97 76.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.475 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -51.9 -46.94 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.418 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -41.67 -38.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -70.32 -45.12 66.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 15' ' ' ALA . 30.3 m-85 -57.4 -32.87 67.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 10.6 mtmm -40.26 -57.15 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -52.28 -39.34 60.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -52.43 -52.97 51.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.64 ' CE1' HD13 ' A' ' 27' ' ' ILE . 67.5 t80 -51.48 -37.27 48.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 18' ' ' LEU . 16.1 m -55.81 -52.73 62.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.037 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -34.98 -49.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.48 ' CB ' HD11 ' A' ' 27' ' ' ILE . 81.4 m-85 -78.76 -48.87 14.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.478 ' HB2' HG12 ' A' ' 27' ' ' ILE . 36.6 t0 -80.2 83.05 6.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -39.04 87.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -67.51 -22.29 65.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.478 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 56.86 16.33 17.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -60.87 -37.1 80.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.44 -6.2 4.93 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 p -130.4 147.2 52.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 0.76 . . . . 0.0 110.415 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.64 HD13 ' CE1' ' A' ' 16' ' ' PHE . 91.3 mt -113.79 104.74 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.526 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.2 t -73.01 -153.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.381 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.526 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.8 p -84.16 -52.81 5.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 110.385 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' GLY . 26.4 tttt -54.28 -57.62 10.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -52.18 -21.44 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.491 ' CD2' HD21 ' A' ' 48' ' ' LEU . 1.5 tp -87.41 -28.93 21.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.442 ' CA ' HD23 ' A' ' 48' ' ' LEU . . . -89.7 -2.61 75.47 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -82.57 -66.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.748 . . . . 0.0 110.375 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.41 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 2.2 t -44.15 -27.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.406 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -66.38 -44.38 83.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 111.011 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.6 OUTLIER -52.71 -24.23 8.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 m -73.34 -21.55 60.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.45 26.46 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.14 23.6 62.1 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.445 1.091 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -105.19 -177.11 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 0.808 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.5 t30 170.61 71.06 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 144.11 29.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.2 p -62.08 167.7 3.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -63.03 -22.47 66.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.93 -48.97 41.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -55.97 -56.59 18.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.491 HD21 ' CD2' ' A' ' 32' ' ' LEU . 6.9 mt -48.63 -56.92 7.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -41.2 -38.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -42.59 58.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.5 mtt -63.69 -42.63 97.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.403 ' O ' HD13 ' A' ' 63' ' ' ILE . 4.0 mt -59.66 -61.3 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -40.95 -52.59 3.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -43.68 -46.89 7.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.407 ' O ' HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -104.63 34.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.51 91.46 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.38 -1.92 58.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -87.41 -27.22 22.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 47.8 40.02 18.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 30.4 p-10 -101.58 -7.08 23.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.22 142.15 10.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 p 61.85 175.04 0.12 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 0.773 . . . . 0.0 110.438 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.2 mm -121.46 137.6 54.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.647 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.1 m-20 -99.86 -172.48 2.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.727 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 28.7 t80 -70.75 -44.46 16.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.727 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.96 -14.45 21.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.432 1.754 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.517 ' O ' ' CG2' ' A' ' 70' ' ' THR . 18.3 mt-10 -95.56 -22.89 17.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.526 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.3 OUTLIER -94.18 -32.22 13.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.946 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.475 HD23 ' CD1' ' A' ' 9' ' ' ILE . 9.5 mt -45.32 -35.77 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.517 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -62.02 -38.91 90.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 110.415 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -55.97 -58.12 9.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.526 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.1 mmt -50.15 -40.94 48.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.33 -54.42 17.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.9 mtm180 -110.28 71.18 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -48.1 -41.51 26.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 110.315 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -54.65 -50.46 59.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.47 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -40.19 -36.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -70.63 -47.89 57.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 9' ' ' ILE . 19.5 m-85 -53.84 -33.07 55.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.565 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 15.3 mtmt -40.41 -56.59 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -52.78 -40.78 63.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -52.98 -55.64 22.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.615 ' CE1' ' CD1' ' A' ' 27' ' ' ILE . 59.8 t80 -46.56 -34.1 4.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.3 t -55.46 -53.83 51.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -38.3 -54.4 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.457 ' CB ' HD12 ' A' ' 27' ' ' ILE . 69.4 m-85 -71.26 -48.33 51.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.513 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 25.2 t0 -82.4 96.07 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.424 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -67.29 -60.54 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -49.7 -21.43 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 54.73 18.61 11.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.456 1.097 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.9 p30 -63.44 -23.96 67.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.17 9.44 8.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 2.5 p -137.87 162.97 32.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.455 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.615 ' CD1' ' CE1' ' A' ' 16' ' ' PHE . 81.0 mt -131.23 116.52 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.573 ' OG1' ' N ' ' A' ' 29' ' ' THR . 5.3 t -92.98 -152.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.402 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.573 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.9 p -90.02 -39.13 13.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.413 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -24.89 63.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.368 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -91.31 -12.81 33.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.469 ' CD2' HD21 ' A' ' 48' ' ' LEU . 1.6 tp -94.08 -37.43 11.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -83.62 -5.76 87.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -76.83 -65.25 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.408 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.57 -26.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.405 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -71.33 -41.82 69.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.446 ' NE ' ' O ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -68.27 -42.05 80.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.8 m -52.13 -25.16 8.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.959 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.0 -85.82 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.05 31.64 0.12 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -124.82 179.17 5.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 110.281 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 177.98 71.73 0.11 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 134.35 17.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.6 p -53.32 157.97 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.18 -24.84 57.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.29 -44.13 72.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.88 -62.27 2.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 51' ' ' MET . 6.7 mt -42.95 -58.46 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -41.39 -43.86 2.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -40.31 82.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.8 mtt -68.33 -48.85 63.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.422 HG22 HG12 ' A' ' 63' ' ' ILE . 1.1 mt -52.42 -51.17 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -48.55 -51.81 25.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -48.57 -38.2 19.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.464 ' CG1' HG22 ' A' ' 70' ' ' THR . 1.2 m -107.83 38.02 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -163.53 111.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.57 -10.1 18.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -84.5 -20.04 32.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.436 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 40.11 43.33 2.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -83.99 -19.08 35.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 0.767 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.12 42.16 2.12 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 179.27 153.34 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 0.73 . . . . 0.0 110.388 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' ILE . 2.7 mm -106.51 137.04 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.659 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.1 m-20 -115.0 -171.43 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.69 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 9.3 t80 -69.81 -43.82 21.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.69 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.02 -10.04 21.0 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.5 1.79 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.5 ' O ' ' CG2' ' A' ' 70' ' ' THR . 1.4 mm-40 -100.28 -25.69 14.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.576 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -93.4 -29.14 15.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.411 HD23 ' CD1' ' A' ' 9' ' ' ILE . 13.0 mt -48.78 -25.49 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 1.3 t -75.5 -35.67 60.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.382 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -53.89 -57.69 10.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -64.89 -28.92 69.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.76 -42.26 82.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -88.12 38.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -79.23 -45.72 19.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -58.77 -39.44 76.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -41.83 -39.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -68.11 -41.92 81.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 9' ' ' ILE . 8.1 m-85 -63.74 -31.9 73.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 9.8 mttp -40.48 -61.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -46.18 -37.53 7.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -56.81 -54.1 50.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.654 ' CE1' HD13 ' A' ' 27' ' ' ILE . 53.5 t80 -59.39 -32.68 70.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -60.68 -50.53 73.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.042 179.95 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -39.28 -59.75 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.487 ' CB ' HD11 ' A' ' 27' ' ' ILE . 34.2 m-85 -65.01 -46.69 80.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -74.74 82.08 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.6 17.76 5.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.443 ' OD1' ' CG ' ' A' ' 24' ' ' ASP . 1.6 p30 -113.62 -19.36 11.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.08 81.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 33.1 p-10 -146.4 -42.42 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 135.38 -4.66 4.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 30.7 p -128.25 159.14 36.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 0.765 . . . . 0.0 110.41 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.654 HD13 ' CE1' ' A' ' 16' ' ' PHE . 85.3 mt -124.53 96.52 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.54 ' OG1' ' N ' ' A' ' 29' ' ' THR . 7.3 t -68.01 -152.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.54 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.0 p -90.34 -52.97 4.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -54.77 -26.54 35.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -87.41 -18.64 29.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.441 ' CD2' HD21 ' A' ' 48' ' ' LEU . 5.1 tp -87.92 -29.65 20.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.47 ' CA ' HD23 ' A' ' 48' ' ' LEU . . . -93.75 -3.33 64.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -79.68 -60.88 2.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 0.0 110.387 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 1.9 t -46.73 -32.3 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -65.74 -37.88 87.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 42' ' ' ASN . 6.3 mmt180 -41.43 -36.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -49.56 75.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.997 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' MET . 1.0 OUTLIER -69.71 -20.53 63.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.35 16.06 63.12 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.469 ' O ' ' C ' ' A' ' 42' ' ' ASN . 5.1 mt-30 -72.53 -37.66 68.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.747 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.469 ' C ' ' O ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER 34.64 71.81 0.76 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 158.3 42.35 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.476 1.777 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.9 p -82.34 155.17 24.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.04 -21.62 46.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.19 -45.63 39.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.35 -60.68 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 51' ' ' MET . 8.8 mt -42.71 -59.49 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -41.35 -47.66 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -39.79 95.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.0 mtt -69.67 -55.79 9.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -45.48 -45.7 4.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -51.72 -34.9 40.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 51' ' ' MET . 15.2 mt-10 -63.04 -34.75 78.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.494 ' CG2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -112.99 32.55 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 0.4 OUTLIER -156.59 100.93 1.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.55 -9.15 30.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -79.68 -35.8 38.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.74 32.85 44.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 52.7 p-10 -76.59 -19.72 57.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 0.802 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.492 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 103.67 -29.57 11.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.428 HG23 ' ND2' ' A' ' 60' ' ' ASN . 10.9 t -107.57 -179.26 3.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 110.419 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.1 mm -122.83 141.42 43.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.611 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.5 m-20 -110.15 -170.99 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.689 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 9.5 t80 -75.04 -44.8 4.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.689 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.04 -11.46 21.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.467 1.772 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 64' ' ' ASP . 1.0 OUTLIER -96.96 -28.16 14.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.505 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -91.94 -37.9 12.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.481 HD23 ' CD1' ' A' ' 9' ' ' ILE . 13.4 mt -38.3 -41.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.48 ' CG2' HG13 ' A' ' 55' ' ' VAL . 2.5 t -55.75 -51.92 65.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -40.69 -51.64 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.944 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.505 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -61.95 -43.7 98.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.4 -44.57 80.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -111.36 63.31 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.935 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 9.0 mtt . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.512 0.196 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -151.9 -175.4 5.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.35 -176.81 3.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 179.55 142.88 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.7 -170.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.4 p 59.07 -152.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.382 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 5' ' ' THR . 27.1 mt-10 -35.27 -60.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -40.77 -46.43 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -49.28 -52.94 24.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.494 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -47.08 -45.98 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . -40.07 -37.98 0.67 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -71.84 -48.51 45.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.433 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 25.0 m-85 -49.29 -29.38 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 111.024 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -44.01 -54.72 5.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -54.49 -44.11 72.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.47 -54.83 15.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.62 ' CE1' ' CD1' ' A' ' 27' ' ' ILE . 46.7 t80 -53.49 -31.95 48.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -62.42 -51.96 65.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -36.66 -56.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.469 ' CB ' HD11 ' A' ' 27' ' ' ILE . 56.1 m-85 -70.52 -41.17 72.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -79.21 95.97 5.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.46 19.59 7.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -114.11 -20.18 11.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.51 16.24 21.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 37.7 p30 -81.97 -31.19 31.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.741 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 117.22 16.98 5.91 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 6.6 p -140.57 152.34 45.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 0.736 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.62 ' CD1' ' CE1' ' A' ' 16' ' ' PHE . 67.5 mt -122.16 102.77 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 29' ' ' THR . 10.2 t -79.55 -154.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.488 ' N ' ' OG1' ' A' ' 28' ' ' THR . 6.1 p -80.58 -62.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.371 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -46.95 -56.6 6.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -50.1 -29.03 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.474 ' CD2' HD21 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -82.02 -39.38 23.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.29 8.54 52.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.459 HG21 ' CZ ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -96.06 -68.9 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.381 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.5 -31.53 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -50.51 -30.59 13.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.459 ' CZ ' HG21 ' A' ' 34' ' ' THR . 1.2 ptt180 -57.1 -30.13 64.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.1 m -67.34 -39.92 85.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.966 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.51 -12.91 59.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.75 22.26 34.17 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -108.16 176.63 5.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.4 t30 177.27 72.09 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 166.68 28.67 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.533 1.807 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 p -76.44 174.02 10.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.47 -10.79 60.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.59 -54.17 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.81 -57.42 12.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 51' ' ' MET . 6.0 mt -45.51 -58.27 3.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -39.8 -46.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -42.8 93.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.9 mtt -63.59 -40.1 96.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.484 ' CG2' HG12 ' A' ' 63' ' ' ILE . 4.9 mt -71.46 -27.22 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -88.77 7.09 35.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 51' ' ' MET . 1.7 mt-10 -95.83 -18.29 20.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.435 ' CG2' ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -119.25 -40.43 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -71.43 98.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.15 -7.98 57.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -82.26 -31.27 30.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.97 32.93 58.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 49.8 p30 -74.22 -20.53 60.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 104.0 -25.91 24.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.446 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 1.2 t -112.33 -179.21 3.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 110.42 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.1 mm -123.18 139.06 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.622 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 58.9 m-20 -103.4 -169.27 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.716 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 19.7 t80 -76.86 -44.11 2.96 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.716 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.0 -25.68 11.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.792 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.529 ' O ' ' CG2' ' A' ' 70' ' ' THR . 1.1 mm-40 -80.08 -22.6 42.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -92.87 -29.98 15.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.494 HD23 ' CD1' ' A' ' 9' ' ' ILE . 6.1 mt -52.83 -36.83 59.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.529 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -61.72 -37.36 83.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.363 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -37.54 75.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.65 -46.59 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.91 -42.39 48.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -42.79 -91.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.8 ptt? . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.46 0.171 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . 177.49 135.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.7 t70 172.21 104.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -176.6 127.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.498 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.3 OUTLIER -82.79 179.13 7.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.498 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -154.04 -164.46 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.431 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' ILE . 41.8 mt-10 -46.06 -30.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -41.19 -41.81 1.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -43.53 98.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -56.31 -48.28 79.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.43 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -42.83 -37.88 1.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.2 -39.43 71.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 9' ' ' ILE . 4.2 m-85 -68.05 -33.32 74.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.575 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 6.9 mttt -38.76 -60.16 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -49.75 -42.31 46.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -52.65 -55.75 20.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.641 ' CE1' HD13 ' A' ' 27' ' ' ILE . 59.0 t80 -53.02 -35.34 59.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -58.21 -52.26 66.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -36.47 -56.89 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CB ' HD11 ' A' ' 27' ' ' ILE . 50.4 m-85 -70.22 -44.42 68.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.497 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 21.4 t0 -83.15 87.82 6.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' A' ' 23' ' ' GLY . 10.9 tptt -62.26 -61.49 2.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.48 -24.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.461 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.63 17.49 34.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 11.2 p30 -61.81 -29.59 70.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 125.16 4.11 7.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 4.8 p -135.3 151.72 50.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 110.414 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.641 HD13 ' CE1' ' A' ' 16' ' ' PHE . 95.5 mt -118.42 99.38 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.529 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.2 t -72.23 -151.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.529 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.6 p -87.08 -55.25 3.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -53.49 -42.54 67.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -68.23 -20.71 64.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.483 ' CD2' HD21 ' A' ' 48' ' ' LEU . 1.7 tp -88.26 -29.84 20.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.412 ' N ' HD23 ' A' ' 48' ' ' LEU . . . -93.53 8.71 74.52 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.87 -61.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 0.0 110.421 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 2.1 t -47.77 -28.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.411 ' HE3' ' NE2' ' A' ' 41' ' ' GLN . 0.7 OUTLIER -65.17 -45.05 86.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -62.89 -29.25 70.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 p -64.51 -18.99 65.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.957 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.81 -77.94 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.31 36.17 0.05 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.543 1.152 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.411 ' NE2' ' HE3' ' A' ' 36' ' ' MET . 30.9 mt-30 -131.81 169.22 16.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 110.254 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 0.3 OUTLIER -167.12 73.39 1.04 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 146.41 32.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.6 p -71.18 163.43 27.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.18 -24.78 56.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.51 -45.39 72.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.32 -62.32 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' MET . 6.4 mt -41.88 -58.3 2.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -42.24 -42.52 3.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -38.89 82.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 48' ' ' LEU . 25.4 mtp -69.63 -47.25 64.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.7 mt -52.57 -52.67 24.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -46.04 -54.47 8.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -45.43 -38.12 5.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.486 ' CG2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -110.19 34.49 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -159.25 92.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.8 -7.14 55.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -82.15 -33.52 29.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.87 34.34 56.2 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.453 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 50.7 p-10 -75.84 -21.76 56.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.447 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 105.92 -25.22 24.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.428 HG23 ' ND2' ' A' ' 60' ' ' ASN . 7.2 t -113.32 -177.68 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.486 HD13 ' CG2' ' A' ' 55' ' ' VAL . 1.2 mm -122.42 142.84 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.6 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 33.5 m-20 -112.32 -169.7 1.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.745 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 11.7 t80 -77.37 -44.78 2.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.745 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.99 -12.0 21.51 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.496 ' O ' ' CG2' ' A' ' 70' ' ' THR . 1.0 OUTLIER -96.47 -22.79 16.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -95.89 -30.25 13.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.424 HD23 ' CD1' ' A' ' 9' ' ' ILE . 11.1 mt -47.64 -28.75 2.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -70.54 -36.55 73.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.39 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -57.73 -49.94 74.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.559 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.1 mmt -59.8 -41.84 92.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.73 92.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.52 59.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.484 ' O ' ' CB ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.476 0.179 . . . . 0.0 111.024 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 0' ' ' MET . . . 164.69 103.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -162.34 29.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -166.42 119.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.473 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.3 OUTLIER -53.94 178.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.473 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -151.99 -165.22 2.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 9' ' ' ILE . 43.3 mt-10 -42.71 -34.89 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 6' ' ' GLU . 1.2 mm-40 -37.09 -40.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -48.66 49.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.463 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -53.8 -45.45 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -41.71 -39.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.06 -44.45 84.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' ILE . 54.8 m-85 -61.44 -34.44 75.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.522 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 56.4 mttm -39.5 -62.57 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -47.02 -38.71 11.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -58.12 -55.15 38.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.647 ' CE1' HD11 ' A' ' 27' ' ' ILE . 59.0 t80 -56.28 -35.43 67.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.6 t -59.7 -51.48 69.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.024 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -38.73 -50.87 1.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.488 ' CB ' HD12 ' A' ' 27' ' ' ILE . 23.3 m-85 -76.24 -42.76 44.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.17 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 23.7 t0 -84.59 87.2 7.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.417 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER -61.48 -61.39 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.24 -23.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.46 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.18 16.84 28.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 36.5 p-10 -60.61 -30.99 70.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.424 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 126.23 1.13 7.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 44.7 p -132.94 146.97 52.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.647 HD11 ' CE1' ' A' ' 16' ' ' PHE . 89.3 mt -114.25 109.07 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.4 t -82.8 -152.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.403 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.521 ' N ' ' OG1' ' A' ' 28' ' ' THR . 34.1 p -90.06 -44.65 9.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.433 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -66.47 -21.34 66.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.477 ' CG ' HG21 ' A' ' 28' ' ' THR . 49.1 mt-10 -93.09 -12.2 31.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.471 ' CD2' HD21 ' A' ' 48' ' ' LEU . 2.0 tp -93.19 -36.92 12.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.28 -10.72 81.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.81 -63.09 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 0.0 110.45 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -49.87 -27.66 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -43.56 75.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -65.58 -19.8 66.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 t -106.45 32.43 4.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 tt -146.44 -46.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.94 44.07 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -148.05 179.41 7.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.416 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 31.2 t-20 177.61 64.66 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.251 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.02 137.54 21.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.9 p -59.97 157.71 12.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -52.08 -31.17 29.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.31 -45.01 77.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.7 -60.75 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 51' ' ' MET . 9.6 mt -45.98 -58.86 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -42.11 -44.06 3.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -38.71 92.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.507 ' N ' ' O ' ' A' ' 48' ' ' LEU . 45.8 mtp -70.15 -54.64 12.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.9 mt -45.2 -46.32 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -52.69 -38.31 60.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 51' ' ' MET . 13.0 mt-10 -60.85 -34.81 75.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.475 ' CG2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -111.2 32.97 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.417 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 4.0 t70 -157.76 103.27 1.89 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.07 -8.87 29.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -78.69 -35.69 44.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.417 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 77.92 33.54 41.15 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.46 ' ND2' ' HG1' ' A' ' 62' ' ' THR . 51.4 p-10 -77.44 -20.82 53.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 104.5 -28.99 12.71 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.46 ' HG1' ' ND2' ' A' ' 60' ' ' ASN . 16.4 p -108.37 -176.6 3.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 110.421 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.475 HD13 ' CG2' ' A' ' 55' ' ' VAL . 1.1 mm -124.75 142.55 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.604 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.9 OUTLIER -108.53 -167.38 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.718 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 15.1 t80 -79.54 -44.33 1.61 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.718 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.99 -14.41 21.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' OE2' ' CG ' ' A' ' 64' ' ' ASP . 16.7 mt-10 -94.3 -25.13 17.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 71' ' ' MET . 0.4 OUTLIER -92.72 -36.97 12.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.463 HD23 ' CD1' ' A' ' 9' ' ' ILE . 9.2 mt -39.74 -38.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.469 HG22 ' CG1' ' A' ' 55' ' ' VAL . 2.6 t -59.37 -49.82 76.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.448 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -42.97 -51.86 5.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -49.32 77.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.96 -44.81 64.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -48.36 -36.05 13.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.991 ' OXT' ' CG ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.0 mtt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.456 0.17 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -118.68 -99.96 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.3 t70 169.27 108.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.47 126.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.498 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.4 OUTLIER -88.01 175.79 7.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.498 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -154.76 -164.06 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.455 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 9' ' ' ILE . 42.0 mt-10 -46.49 -31.14 2.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -39.65 -39.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -44.83 71.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -55.52 -43.4 72.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.45 ' N ' HG21 ' A' ' 9' ' ' ILE . . . -42.26 -36.71 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -69.52 -41.75 75.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 9' ' ' ILE . 48.3 m-85 -63.8 -34.74 78.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.567 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 2.4 mtmp? -40.19 -60.94 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -48.53 -40.72 27.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.244 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -53.31 -55.69 22.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.636 ' CE1' HD13 ' A' ' 27' ' ' ILE . 60.9 t80 -53.75 -32.2 51.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -59.53 -51.7 68.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.952 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -37.76 -54.55 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.476 ' CB ' HD11 ' A' ' 27' ' ' ILE . 63.0 m-85 -73.82 -45.18 52.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.481 ' HB2' HG12 ' A' ' 27' ' ' ILE . 15.6 t0 -83.99 83.87 7.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.44 -23.46 61.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.422 ' OD1' ' CD ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -74.23 -26.55 60.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 63.98 10.33 39.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -62.71 -34.66 77.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.784 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.32 1.63 8.51 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.572 1.17 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 43.1 p -135.5 142.53 45.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.636 HD13 ' CE1' ' A' ' 16' ' ' PHE . 92.4 mt -109.01 109.57 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.57 ' OG1' ' N ' ' A' ' 29' ' ' THR . 5.6 t -80.18 -151.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.441 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.57 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.4 p -90.03 -47.95 7.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.418 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -62.85 -27.14 69.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.438 ' CD ' ' CG2' ' A' ' 28' ' ' THR . 38.9 mt-10 -85.18 -17.7 36.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.436 ' CD2' HD21 ' A' ' 48' ' ' LEU . 1.4 tp -89.32 -35.82 15.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.48 -10.49 81.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.34 -60.03 2.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 0.754 . . . . 0.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 t -54.27 -28.05 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -40.8 64.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -19.67 42.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 m -113.41 40.76 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.73 24.39 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.81 6.17 71.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.122 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -108.96 174.7 5.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.402 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 57.2 t-20 176.36 65.23 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.01 139.62 24.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.782 . . . . 0.0 111.028 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.2 p -64.41 164.39 11.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.433 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -58.38 -22.38 53.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.27 -46.13 51.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.4 -60.9 3.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 51' ' ' MET . 8.3 mt -43.4 -58.58 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -42.71 -43.85 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -36.98 84.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 48' ' ' LEU . 21.6 mtp -73.66 -49.22 27.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 111.034 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.414 HG21 HG12 ' A' ' 63' ' ' ILE . 1.4 mt -51.36 -38.12 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -62.3 -22.54 66.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 51' ' ' MET . 19.7 mt-10 -77.57 -26.07 50.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.46 ' CG1' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -119.35 31.72 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -158.4 110.48 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.16 -9.13 21.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.456 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -78.17 -38.47 43.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.81 33.22 34.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.123 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.456 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 35.8 p-10 -78.39 -21.33 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.2 -35.75 4.83 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.442 1.089 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.43 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 10.5 p -101.02 178.38 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 0.736 . . . . 0.0 110.429 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.4 mm -121.65 139.63 48.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.62 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.2 m-20 -106.7 -171.13 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.702 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 9.9 t80 -75.11 -44.45 4.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.99 -11.02 21.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 64' ' ' ASP . 13.5 mt-10 -99.0 -28.51 13.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.345 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.539 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -89.51 -36.5 15.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.479 HD23 ' CD1' ' A' ' 9' ' ' ILE . 9.3 mt -38.16 -45.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.46 HG22 ' CG1' ' A' ' 55' ' ' VAL . 3.9 t -50.65 -52.65 37.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.4 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -41.88 -52.92 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.539 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.4 mmt -55.55 -52.41 63.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.06 -48.47 61.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.509 ' NE ' ' O ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -121.72 75.83 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.478 ' O ' ' CB ' ' A' ' 1' ' ' ALA . 20.8 mtt . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.526 0.203 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 0' ' ' MET . . . 165.05 79.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.6 t0 179.37 46.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -161.61 118.52 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.457 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.3 OUTLIER -70.56 176.45 4.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.457 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -151.46 -166.13 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.371 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 9' ' ' ILE . 42.8 mt-10 -45.29 -31.76 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -39.9 -41.58 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -42.86 90.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -56.82 -42.66 78.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.452 ' N ' HG21 ' A' ' 9' ' ' ILE . . . -44.23 -38.61 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.1 -37.02 83.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 9' ' ' ILE . 9.7 m-85 -73.25 -32.88 64.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 5.8 mtmm -39.79 -58.69 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.5 -40.45 51.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -57.17 -53.84 53.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.614 ' CE1' HD13 ' A' ' 27' ' ' ILE . 56.0 t80 -58.64 -32.07 68.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 18' ' ' LEU . 22.8 m -62.62 -49.59 74.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -38.18 -51.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.466 ' CB ' HD11 ' A' ' 27' ' ' ILE . 49.9 m-85 -76.03 -47.14 25.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.29 102.01 4.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.94 35.08 3.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -114.03 -85.31 0.6 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.89 40.88 0.1 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.42 ' OD1' ' CG2' ' A' ' 26' ' ' THR . 2.1 p30 -124.16 -30.08 3.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.97 24.24 6.11 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.42 ' CG2' ' OD1' ' A' ' 24' ' ' ASP . 4.6 t -135.86 161.87 34.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.614 HD13 ' CE1' ' A' ' 16' ' ' PHE . 60.9 mt -129.05 102.83 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.572 ' OG1' ' N ' ' A' ' 29' ' ' THR . 5.3 t -78.1 -150.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.572 ' N ' ' OG1' ' A' ' 28' ' ' THR . 5.5 p -85.47 -53.37 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -54.45 -58.97 5.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -49.55 -26.06 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.81 -36.0 25.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 30' ' ' LYS . . . -85.52 7.87 74.44 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.596 1.185 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.43 -48.21 7.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 0.735 . . . . 0.0 110.402 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.59 -23.71 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -42.76 65.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -79.65 -2.67 43.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 t -99.42 13.6 32.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.07 -47.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.55 43.38 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -139.45 176.97 8.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.793 . . . . 0.0 110.27 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 176.41 68.43 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.069 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.4 28.92 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.0 p -60.98 154.81 21.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -52.92 -25.35 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.19 -45.35 70.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.41 -61.2 2.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 51' ' ' MET . 8.6 mt -45.96 -58.33 3.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -42.33 -44.46 3.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -38.97 93.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 48' ' ' LEU . 10.5 mtt -70.01 -52.25 25.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.445 ' CG2' HG12 ' A' ' 63' ' ' ILE . 7.0 mt -54.25 -28.38 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -75.44 -3.87 36.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 51' ' ' MET . 17.4 mt-10 -94.49 -29.37 14.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.484 HG13 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -115.7 34.73 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -155.07 89.45 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.37 -9.02 59.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.486 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -79.72 -35.83 38.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.17 35.35 53.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.461 1.101 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.486 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 35.0 p-10 -78.56 -21.96 47.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.59 -27.67 14.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.82 171.26 7.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.475 ' CD1' HG21 ' A' ' 55' ' ' VAL . 1.5 mm -116.0 142.81 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.582 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 48.8 m-20 -111.75 -168.11 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.698 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 7.5 t80 -79.29 -44.99 1.69 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.698 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.95 -13.68 21.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -94.28 -27.15 16.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -92.09 -38.35 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 111.022 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.486 HD23 ' CD1' ' A' ' 9' ' ' ILE . 9.8 mt -38.47 -41.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.484 ' CG2' HG13 ' A' ' 55' ' ' VAL . 3.7 t -54.0 -52.5 60.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -39.9 -49.22 2.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.98 -48.88 76.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.14 -44.27 83.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.88 63.03 0.65 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.1 mtp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.533 0.206 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -176.61 49.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -159.74 -163.75 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -163.35 126.04 2.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.235 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.565 ' O ' ' O ' ' A' ' 5' ' ' THR . 0.6 OUTLIER -85.3 -166.24 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.565 ' O ' ' O ' ' A' ' 4' ' ' LEU . 17.6 p 50.97 161.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.432 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 9' ' ' ILE . 34.2 mt-10 68.63 -54.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -79.64 -44.36 21.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.76 -36.83 62.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -59.43 -48.7 86.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -38.71 -37.34 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -69.04 -51.48 38.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 9' ' ' ILE . 29.8 m-85 -47.01 -31.93 3.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.052 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' PHE . 71.3 mttt -40.36 -58.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -51.88 -42.25 62.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.83 -57.4 7.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.654 ' CE1' ' CD1' ' A' ' 27' ' ' ILE . 60.5 t80 -51.96 -36.69 50.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.8 t -57.91 -51.88 67.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -36.8 -51.73 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.252 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.48 ' CB ' HD12 ' A' ' 27' ' ' ILE . 58.6 m-85 -75.25 -45.58 39.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 32.4 t0 -80.62 88.63 5.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -59.91 -62.67 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -49.12 -23.07 1.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.122 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.459 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 56.68 18.76 25.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 7.5 p30 -61.23 -28.73 69.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 124.14 4.11 7.9 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 44.2 p -136.96 147.02 46.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.798 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.654 ' CD1' ' CE1' ' A' ' 16' ' ' PHE . 87.2 mt -114.63 115.8 50.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.539 ' OG1' ' N ' ' A' ' 29' ' ' THR . 7.3 t -88.37 -152.32 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.539 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.8 p -81.4 -55.41 4.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 32' ' ' LEU . 2.5 tttt -55.68 -60.82 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -45.92 -25.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.473 ' CD2' HD21 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -84.04 -48.44 9.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.408 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -70.35 -4.66 51.94 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -76.87 -66.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.407 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.401 ' N ' HG23 ' A' ' 34' ' ' THR . 2.4 t -49.95 -27.81 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -43.89 95.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.436 ' NH2' ' OD1' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -57.22 -17.89 13.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.2 -6.11 59.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.016 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.55 17.03 14.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.8 16.53 74.49 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -101.03 -179.21 3.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.436 ' OD1' ' NH2' ' A' ' 37' ' ' ARG . 15.5 t30 170.47 68.75 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 127.41 10.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.451 1.764 . . . . 0.0 110.963 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.8 p -44.64 161.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.427 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -58.94 -28.78 66.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.11 -44.5 79.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -59.99 -62.01 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 51' ' ' MET . 7.1 mt -43.74 -58.08 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -38.85 -44.1 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.15 -45.69 83.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.8 mtt -60.98 -42.66 98.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.439 ' CG2' HG12 ' A' ' 63' ' ' ILE . 5.6 mt -66.35 -29.05 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -90.69 7.51 39.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 51' ' ' MET . 1.2 mt-10 -98.08 -17.4 19.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.415 HG21 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -119.52 -40.19 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -72.9 106.77 4.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.02 -6.16 51.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.457 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -83.39 -33.59 25.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.48 33.7 55.66 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.457 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 48.7 p-10 -74.66 -22.74 58.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 109.14 -29.9 9.18 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 p -108.98 -177.43 3.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 0.737 . . . . 0.0 110.432 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.439 HG12 ' CG2' ' A' ' 52' ' ' ILE . 1.1 mm -123.82 141.13 45.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.625 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 15.8 m-20 -106.43 -169.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.707 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 16.9 t80 -78.33 -43.76 2.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.707 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.0 Cg_endo -75.07 -20.4 16.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.467 1.772 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.521 ' O ' ' CG2' ' A' ' 70' ' ' THR . 19.3 mt-10 -87.59 -22.54 24.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.577 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -92.77 -31.4 15.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 mt -47.8 -35.07 9.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -65.07 -36.66 85.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.424 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -59.07 -41.97 89.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.577 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.1 mmt -67.76 -40.75 84.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.82 -44.9 88.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.62 59.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.5 ttt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.475 0.178 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -161.56 -82.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -74.15 118.18 16.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 64.56 121.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.474 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.4 OUTLIER -49.78 177.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.474 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -152.79 -162.62 1.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 9' ' ' ILE . 44.8 mt-10 -42.44 -35.95 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' GLU . 1.5 mt-10 -37.82 -42.11 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.431 ' OE1' ' CB ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -70.37 -48.62 55.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.301 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -54.48 -46.95 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . -39.12 -38.03 0.44 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.158 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -67.83 -47.53 68.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 9' ' ' ILE . 45.2 m-85 -56.33 -31.83 64.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' PHE . 31.4 mttt -39.26 -65.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.097 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -45.29 -38.71 5.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -56.61 -55.73 30.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.644 ' CE1' HD13 ' A' ' 27' ' ' ILE . 79.9 t80 -57.86 -36.74 72.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 18' ' ' LEU . 8.5 t -56.38 -52.13 65.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -37.43 -53.13 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.484 ' CB ' HD11 ' A' ' 27' ' ' ILE . 51.9 m-85 -72.63 -46.86 51.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.507 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 17.4 t0 -80.81 92.37 6.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -67.28 -58.08 5.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -49.18 -23.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 59.51 15.58 32.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 36.8 p-10 -61.29 -32.01 71.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.41 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 127.29 -0.09 6.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 81.8 p -130.01 152.07 49.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.644 HD13 ' CE1' ' A' ' 16' ' ' PHE . 94.3 mt -119.45 102.88 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.535 ' OG1' ' N ' ' A' ' 29' ' ' THR . 7.4 t -76.61 -152.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.535 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.2 p -88.14 -45.35 10.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -40.89 97.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -71.76 -17.97 62.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.43 ' CD2' HD21 ' A' ' 48' ' ' LEU . 1.1 tp -91.39 -29.91 16.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.07 6.94 81.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -93.93 -64.17 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.78 . . . . 0.0 110.404 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 2.1 t -46.3 -25.85 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -69.71 -42.16 74.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' THR . 71.3 mtm180 -53.42 -21.66 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.247 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 m -109.79 30.14 6.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.62 20.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.09 20.77 75.12 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -120.71 173.63 7.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 0.737 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 175.55 66.53 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.07 33.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.5 p -70.5 161.14 31.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.425 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -54.54 -25.85 28.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.08 -48.84 56.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.24 -58.34 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 51' ' ' MET . 7.6 mt -45.23 -59.75 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -39.65 -49.17 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.48 -41.57 98.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' LEU . 9.1 mtp -66.86 -56.93 8.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.406 HG21 HG12 ' A' ' 63' ' ' ILE . 1.3 mt -44.55 -46.56 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -49.81 -37.87 32.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 51' ' ' MET . 15.3 mt-10 -59.54 -35.05 73.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.493 ' CG2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -113.11 32.28 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.251 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.28 100.47 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.23 -12.04 26.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.483 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -76.64 -40.83 47.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.06 32.42 26.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.483 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 35.1 p-10 -80.37 -18.34 49.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.779 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.65 -29.13 12.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.41 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 1.4 m -103.08 168.07 9.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 110.404 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.5 mm -114.46 141.73 29.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.623 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 25.8 m-20 -114.04 -173.02 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.685 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 7.9 t80 -72.94 -44.79 8.51 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.98 -9.55 20.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.46 ' CG ' ' HB2' ' A' ' 64' ' ' ASP . 1.2 mm-40 -99.12 -29.22 12.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.54 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -91.76 -35.65 14.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.483 HD23 ' CD1' ' A' ' 9' ' ' ILE . 12.4 mt -40.46 -38.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.486 ' CG2' HG13 ' A' ' 55' ' ' VAL . 2.1 t -58.97 -47.22 85.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -45.34 -58.96 2.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.54 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.1 mmt -55.05 -38.63 68.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.26 -45.54 76.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.68 57.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.513 0.197 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . 175.31 93.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 t0 177.58 117.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -123.95 86.43 2.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.485 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.6 OUTLIER -94.61 -165.54 1.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER 67.43 -148.95 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.388 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.488 ' N ' ' OG1' ' A' ' 5' ' ' THR . 15.6 mt-10 -34.17 -58.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.361 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 6' ' ' GLU . 3.8 mm-40 -37.3 -43.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -63.88 -54.17 39.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.475 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -48.11 -48.88 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.452 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -38.63 -37.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.428 ' CD ' ' NE2' ' A' ' 8' ' ' GLN . 52.3 mt-10 -67.92 -53.14 28.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 15' ' ' ALA . 8.1 m-85 -49.02 -28.65 4.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 1.3 mttm -39.77 -60.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -49.61 -40.15 38.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -52.16 -56.06 16.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.627 ' CE1' HD13 ' A' ' 27' ' ' ILE . 63.7 t80 -53.56 -32.93 52.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.7 m -57.52 -51.36 69.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -38.05 -58.95 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.47 ' CB ' HD11 ' A' ' 27' ' ' ILE . 66.0 m-85 -67.58 -46.25 73.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.43 ' HB2' HG12 ' A' ' 27' ' ' ILE . 5.5 t0 -79.63 94.59 5.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -88.58 9.43 24.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -105.94 -18.14 14.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.18 15.22 13.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 111.067 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 35.1 p-10 -74.53 -37.57 63.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.774 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 125.51 2.59 7.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.554 1.159 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.475 ' HB ' ' CG2' ' A' ' 62' ' ' THR . 19.5 p -132.3 146.01 51.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 110.374 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.627 HD13 ' CE1' ' A' ' 16' ' ' PHE . 90.0 mt -114.91 102.42 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 29' ' ' THR . 9.7 t -76.0 -152.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.504 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.5 p -86.74 -45.66 10.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.373 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -59.81 -48.33 82.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -62.61 -26.09 68.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 28' ' ' THR . 0.7 OUTLIER -83.72 -37.99 21.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.49 7.08 58.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.456 ' CG2' ' N ' ' A' ' 35' ' ' VAL . 0.7 OUTLIER -92.28 -69.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.403 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.456 ' N ' ' CG2' ' A' ' 34' ' ' THR . 2.6 t -46.39 -25.5 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' GLN . 0.9 OUTLIER -59.16 -43.99 92.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -0.51 23.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 m -94.99 -14.63 24.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.8 -31.49 6.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.11 43.61 0.18 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' MET . 21.4 mt-30 -133.81 175.15 9.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.426 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 11.0 t-20 176.88 64.02 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.01 159.31 41.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.9 p -73.09 173.36 9.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -71.95 -16.75 62.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.93 -45.8 23.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.91 -60.49 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 51' ' ' MET . 8.3 mt -42.51 -59.04 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -42.45 -42.44 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -39.1 84.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' LEU . 6.4 mtt -69.37 -56.62 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.8 mt -44.68 -46.52 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -50.76 -41.96 57.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 51' ' ' MET . 12.0 mt-10 -57.01 -34.48 68.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.522 ' CG2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -111.49 30.11 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -154.05 102.25 2.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.92 -11.27 26.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -76.89 -40.07 48.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.42 32.5 25.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.46 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 31.2 p-10 -81.06 -17.81 48.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.4 -29.45 11.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.475 ' CG2' ' HB ' ' A' ' 26' ' ' THR . 1.5 m -101.81 168.23 9.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.2 mm -115.34 131.73 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.651 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 27.0 m-20 -103.55 178.79 4.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.747 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 24.3 t80 -66.15 -44.45 59.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.747 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -75.08 -9.84 20.83 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.452 1.764 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' CG ' ' HB2' ' A' ' 64' ' ' ASP . 1.3 mm-40 -99.95 -28.94 12.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -89.89 -32.8 16.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.475 HD23 ' CD1' ' A' ' 9' ' ' ILE . 9.9 mt -41.62 -44.59 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.469 ' CG2' HG13 ' A' ' 55' ' ' VAL . 3.7 t -52.54 -46.97 66.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -47.02 -53.45 12.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.499 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.8 mmt -53.81 -50.87 65.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.75 -50.93 9.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 74' ' ' ARG . 24.8 mtm105 -92.09 48.63 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.473 ' O ' ' CB ' ' A' ' 1' ' ' ALA . 49.0 mtp . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.501 0.191 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 0' ' ' MET . . . 165.38 175.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -166.61 74.36 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.25 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.67 140.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.491 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.4 OUTLIER -74.02 -177.63 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.491 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -153.75 -165.09 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.422 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 9' ' ' ILE . 48.2 mt-10 -43.69 -33.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -38.49 -37.97 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.473 ' OE1' ' CB ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -74.8 -46.26 38.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -55.81 -39.57 56.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.424 ' N ' HG21 ' A' ' 9' ' ' ILE . . . -42.36 -40.23 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -66.39 -42.01 88.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 9' ' ' ILE . 56.3 m-85 -64.99 -34.46 78.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.534 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 14.8 mttt -40.67 -64.14 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -45.11 -38.92 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -58.22 -55.89 29.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.637 ' CE1' HD13 ' A' ' 27' ' ' ILE . 48.3 t80 -57.74 -31.68 66.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER -61.92 -49.02 77.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 109.99 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.5 -66.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.484 ' CB ' HD11 ' A' ' 27' ' ' ILE . 35.1 m-85 -56.37 -47.53 78.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.499 ' CG ' ' N ' ' A' ' 21' ' ' LYS . 1.8 t70 -68.78 169.4 11.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.499 ' N ' ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -178.28 37.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -137.09 10.64 3.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 37.49 29.05 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 22' ' ' ASP . 5.4 p-10 -98.89 -33.55 10.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.24 21.74 7.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.439 ' CG2' ' OD2' ' A' ' 24' ' ' ASP . 0.6 OUTLIER -133.77 160.67 36.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 110.383 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.637 HD13 ' CE1' ' A' ' 16' ' ' PHE . 67.8 mt -129.83 86.91 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.52 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.8 t -63.83 -154.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.408 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.52 ' N ' ' OG1' ' A' ' 28' ' ' THR . 3.4 p -89.29 -57.49 2.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.23 -33.47 5.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.416 ' CD ' ' OD1' ' A' ' 22' ' ' ASP . 33.5 mt-10 -76.98 -34.74 57.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.462 ' CD2' HD21 ' A' ' 48' ' ' LEU . 2.1 tp -72.05 -27.32 62.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.02 -2.31 64.55 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.82 -61.31 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 2.2 t -49.67 -27.79 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -44.14 85.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -55.49 -20.74 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 t -82.7 -7.2 59.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.52 9.6 15.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.47 23.58 67.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -109.61 179.91 4.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 176.58 72.21 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 139.91 24.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.773 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.6 p -59.23 161.19 5.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.346 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.84 -21.56 61.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.13 -45.21 61.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.79 -60.08 4.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 51' ' ' MET . 7.8 mt -45.99 -59.21 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -40.68 -44.94 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.39 -42.51 96.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.8 mtt -66.4 -58.15 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.3 mt -43.65 -48.11 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -48.62 -45.85 38.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -53.06 -36.0 60.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.524 ' CG2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -111.16 33.38 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -156.33 97.74 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.51 -11.08 32.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.474 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -77.92 -36.75 49.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.48 33.47 38.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.441 1.088 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.474 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 46.6 p-10 -78.71 -20.98 48.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 0.718 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 103.12 -28.26 16.52 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.424 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 10.3 p -106.55 170.29 8.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.1 mm -114.76 138.39 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.606 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 7.0 m-20 -106.5 -169.53 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.693 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 10.7 t80 -79.06 -44.2 1.74 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.693 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.5 Cg_endo -74.98 -13.91 21.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.459 1.768 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' A' ' 64' ' ' ASP . 16.4 mt-10 -94.76 -24.9 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.0 OUTLIER -93.46 -35.57 12.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.44 HD23 ' CD1' ' A' ' 9' ' ' ILE . 10.8 mt -41.7 -38.59 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.479 ' CG2' HG13 ' A' ' 55' ' ' VAL . 2.1 t -58.44 -45.37 88.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -46.49 -50.69 16.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 111.048 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.47 -43.54 98.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.36 -44.83 62.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 75' ' ' LYS . 4.3 mtp85 -97.66 48.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 74' ' ' ARG . 7.9 mtpt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.497 0.189 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -163.57 -177.87 5.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 3' ' ' GLN . 0.9 OUTLIER -154.24 110.15 3.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.493 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.7 OUTLIER 161.0 126.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.357 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.473 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.5 OUTLIER -57.76 179.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.473 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -151.88 -164.76 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.384 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 9' ' ' ILE . 30.8 mt-10 -44.53 -34.24 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' GLU . 2.3 mt-10 -38.09 -39.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -46.18 55.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 6' ' ' GLU . 0.4 OUTLIER -55.75 -42.26 69.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -45.08 -38.63 5.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -66.41 -37.67 85.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 15' ' ' ALA . 10.8 m-85 -72.86 -34.81 67.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.578 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 3.1 mtmm -37.91 -55.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -54.52 -44.33 72.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -49.82 -55.71 13.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.654 ' CE1' HD13 ' A' ' 27' ' ' ILE . 67.3 t80 -52.39 -32.82 40.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.5 t -60.24 -52.65 64.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -38.11 -58.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.475 ' CB ' HD11 ' A' ' 27' ' ' ILE . 38.4 m-85 -66.48 -42.87 86.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -79.17 91.76 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.92 21.9 8.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -118.89 -6.99 10.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.48 73.12 0.22 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 32.0 p-10 -137.53 -43.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 136.94 -7.13 3.8 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 11.4 p -121.79 165.94 15.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.414 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.654 HD13 ' CE1' ' A' ' 16' ' ' PHE . 90.0 mt -132.3 94.94 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.5 ' OG1' ' N ' ' A' ' 29' ' ' THR . 9.9 t -71.12 -154.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.5 ' N ' ' OG1' ' A' ' 28' ' ' THR . 12.5 p -87.04 -51.1 6.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.381 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.51 -36.43 66.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -76.57 -22.28 54.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.482 ' CD2' HD21 ' A' ' 48' ' ' LEU . 4.1 tp -83.19 -28.49 29.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 36' ' ' MET . . . -87.08 -38.05 8.06 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -42.09 -63.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.777 . . . . 0.0 110.38 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 t -46.97 -40.7 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.415 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -67.41 -40.55 85.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.983 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.424 ' CZ ' ' ND2' ' A' ' 42' ' ' ASN . 2.3 mmt180 -46.86 -33.82 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -112.66 42.32 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -147.68 35.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 57.34 16.83 22.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.418 ' O ' ' OD1' ' A' ' 42' ' ' ASN . 31.3 mt-30 -120.16 175.65 5.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 110.338 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.424 ' ND2' ' CZ ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER 177.99 64.68 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.4 Cg_endo -74.95 125.89 9.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.7 p -50.95 175.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.374 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.77 -14.93 62.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.72 -45.5 15.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.97 -58.48 8.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.482 HD21 ' CD2' ' A' ' 32' ' ' LEU . 9.2 mt -44.26 -59.11 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -41.42 -46.05 3.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -42.13 98.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 48' ' ' LEU . 8.4 mtt -65.02 -49.32 70.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.406 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 1.7 mt -61.04 -25.79 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -82.36 6.97 15.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 51' ' ' MET . 3.7 mt-10 -104.77 -21.27 13.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.455 ' CG2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -111.72 -44.27 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 21.2 t70 -75.71 105.51 6.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.27 -13.93 27.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.464 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -75.43 -36.22 60.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.89 32.27 33.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.1 . . . . 0.0 110.98 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.464 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 30.4 p-10 -79.48 -19.87 48.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.18 -37.25 3.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.123 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 m -97.5 165.72 11.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 110.415 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.8 mm -114.83 137.47 48.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.64 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.2 m-20 -110.17 -169.38 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.663 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 5.4 t80 -74.28 -44.07 5.93 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.663 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.94 -11.27 21.58 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' A' ' 64' ' ' ASP . 11.6 mt-10 -99.6 -21.2 15.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.541 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -98.39 -32.56 11.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.408 HD23 ' CD1' ' A' ' 9' ' ' ILE . 13.8 mt -46.49 -29.93 1.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.443 ' CG2' HG11 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -68.4 -39.18 81.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.377 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -55.96 -41.22 74.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.541 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.3 mmt -70.49 -41.29 72.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.73 91.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.57 63.39 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.508 0.194 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -177.14 174.85 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 3' ' ' GLN . 22.5 t70 -111.65 101.13 9.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.404 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.8 OUTLIER 167.37 133.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.451 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.8 OUTLIER -52.78 -176.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.451 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 1.1 p -151.17 -162.99 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 7' ' ' GLU . 41.4 mt-10 -48.64 -32.35 8.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 6' ' ' GLU . 1.6 mt-10 -37.85 -41.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.03 -48.58 20.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -54.23 -44.09 63.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.21 -38.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.58 -43.8 79.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 9' ' ' ILE . 58.6 m-85 -62.28 -33.69 75.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 19.4 mttm -39.93 -62.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -47.1 -39.33 13.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -58.25 -56.87 16.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.666 ' CE1' HD13 ' A' ' 27' ' ' ILE . 28.7 t80 -50.69 -32.25 18.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.8 t -62.45 -53.49 54.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.948 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.504 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -35.85 -47.13 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.491 ' CB ' HD11 ' A' ' 27' ' ' ILE . 50.5 m-85 -83.58 -49.22 9.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.411 ' HB2' HG12 ' A' ' 27' ' ' ILE . 1.7 t70 -73.37 110.99 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.42 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -145.11 61.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -146.98 -47.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.435 ' N ' ' CG ' ' A' ' 22' ' ' ASP . . . 110.4 92.89 2.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 23' ' ' GLY . 17.0 p30 167.34 24.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.749 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 40.48 39.04 1.6 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 0.5 OUTLIER -143.34 156.81 44.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.384 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.666 HD13 ' CE1' ' A' ' 16' ' ' PHE . 77.8 mt -122.88 80.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' A' ' 29' ' ' THR . 9.8 t -58.73 -153.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.449 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.498 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.1 p -84.8 -61.92 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.43 -54.22 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.42 ' OE2' ' N ' ' A' ' 21' ' ' LYS . 49.1 mt-10 -56.71 -42.87 79.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.45 ' CD2' HD21 ' A' ' 48' ' ' LEU . 1.1 tp -65.91 -24.02 66.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.94 18.34 55.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.3 -44.5 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.754 . . . . 0.0 110.397 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 2.2 t -67.61 -25.92 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.25 -42.46 68.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 111.046 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -78.33 -2.42 38.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t -97.78 10.16 40.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.95 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.81 -72.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.28 34.64 0.08 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -132.35 -179.03 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 0.741 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 176.04 71.41 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 155.77 43.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.2 p -78.88 154.74 29.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.38 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.34 -22.84 1.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.352 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.14 -45.01 51.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.365 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.36 -59.9 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 51' ' ' MET . 6.2 mt -43.03 -57.91 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -43.02 -42.92 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -37.21 81.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 48' ' ' LEU . 7.5 mtp -72.49 -52.51 15.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 mt -46.83 -45.64 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -51.43 -32.62 27.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 51' ' ' MET . 29.2 mt-10 -63.15 -33.3 75.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.489 HG13 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -117.16 33.15 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.252 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.16 100.81 2.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.5 -9.1 30.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.504 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -79.32 -36.93 38.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.24 34.87 39.72 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.504 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 52.9 p-10 -79.85 -20.42 46.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.492 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 104.48 -28.56 14.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.435 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 6.1 t -108.34 172.29 6.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 110.397 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 1.5 mm -114.98 145.32 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.596 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 2.2 m-20 -114.19 -169.98 1.63 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.722 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 12.4 t80 -77.44 -44.81 2.62 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.722 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.03 -13.19 21.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.801 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 64' ' ' ASP . 1.1 mm-40 -94.37 -27.72 15.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -90.72 -36.87 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.97 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.447 HD23 ' CD1' ' A' ' 9' ' ' ILE . 8.9 mt -39.42 -43.88 1.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.489 ' CG2' HG13 ' A' ' 55' ' ' VAL . 3.3 t -51.84 -50.99 59.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.403 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.419 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -42.71 -56.7 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.474 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.4 mmt -54.77 -41.93 71.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.13 -44.33 21.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -104.71 60.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.473 0.178 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -47.65 98.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -130.34 156.31 44.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.369 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 168.03 143.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.77 -172.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 8' ' ' GLN . 1.3 p 60.38 -149.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' N ' ' OG1' ' A' ' 5' ' ' THR . 9.6 mt-10 -37.35 -63.82 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -39.0 -38.39 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -62.55 -53.46 54.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.477 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -48.01 -48.19 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.44 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -40.28 -38.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -72.19 -46.31 56.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.574 ' CD2' HD21 ' A' ' 69' ' ' LEU . 20.8 m-85 -52.36 -30.48 29.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' PHE . 7.7 mttm -40.31 -55.34 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -54.0 -42.68 69.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -51.28 -54.59 24.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.689 ' CE1' ' CD1' ' A' ' 27' ' ' ILE . 47.4 t80 -51.78 -33.64 36.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.3 m -61.63 -52.12 65.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.986 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -36.11 -57.11 0.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.485 ' CB ' HD11 ' A' ' 27' ' ' ILE . 4.0 m-30 -67.87 -45.56 74.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.402 ' HB2' HG12 ' A' ' 27' ' ' ILE . 2.2 t70 -73.47 85.93 1.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.73 19.93 4.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -116.28 -10.53 11.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 44.58 74.76 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.403 ' OD2' ' OG1' ' A' ' 26' ' ' THR . 8.9 p-10 -139.62 -43.91 0.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 0.779 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.49 -8.98 3.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 7.0 p -120.64 169.74 10.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 0.717 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.689 ' CD1' ' CE1' ' A' ' 16' ' ' PHE . 71.3 mt -135.62 107.86 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.583 ' OG1' ' N ' ' A' ' 29' ' ' THR . 4.8 t -80.92 -149.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.583 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.1 p -90.85 -52.8 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -56.78 -31.65 64.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -80.61 -17.16 52.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.458 ' CD2' HD21 ' A' ' 48' ' ' LEU . 1.1 tp -91.38 -30.56 16.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.07 1.62 70.67 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.23 -34.33 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -83.78 -25.16 7.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -35.48 69.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.74 13.26 7.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.97 -37.08 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.35 -76.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.14 30.7 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.465 1.103 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -127.88 -176.68 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.431 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 33.2 t30 177.1 63.79 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.02 139.8 24.66 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.8 p -58.12 178.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.392 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.14 -20.32 60.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.83 -46.32 25.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -56.78 -57.48 12.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.238 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.458 HD21 ' CD2' ' A' ' 32' ' ' LEU . 7.6 mt -46.72 -60.65 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' LEU . 15.6 tp60 -37.44 -40.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.459 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 0.3 OUTLIER -71.81 -51.12 24.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' LEU . 22.2 mtt -52.16 -33.85 42.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.426 ' O ' HD12 ' A' ' 63' ' ' ILE . 2.4 mt -70.67 -51.17 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.544 ' C ' ' OD1' ' A' ' 53' ' ' ASN . 21.1 p30 -76.31 -0.16 21.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 1.2 mm-40 -84.46 -19.1 33.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.472 ' CG1' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -118.73 -43.72 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 109.346 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -66.12 122.41 17.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.11 -6.88 17.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.491 ' OD2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -81.33 -36.49 29.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.91 30.92 45.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.491 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 43.2 p-10 -72.96 -22.37 60.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.31 -26.88 18.87 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.8 p -110.76 178.45 4.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 0.749 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -119.98 137.86 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.613 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 5.3 m-20 -101.91 -169.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.691 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 13.4 t80 -78.13 -44.06 2.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.691 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.03 -25.67 11.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.441 1.758 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.521 ' O ' ' CG2' ' A' ' 70' ' ' THR . 26.8 mt-10 -81.84 -21.59 37.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -91.79 -34.38 14.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.574 HD21 ' CD2' ' A' ' 12' ' ' PHE . 4.9 mt -43.37 -44.03 5.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -52.8 -46.47 67.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.424 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -44.5 48.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -42.33 95.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.1 -47.06 81.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -108.38 60.04 0.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.471 0.176 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -106.96 178.13 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -139.97 179.88 6.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 63.46 125.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.483 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.4 OUTLIER -62.93 178.77 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.483 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -152.87 -161.92 1.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.369 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 9' ' ' ILE . 51.7 mt-10 -45.16 -36.1 3.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -38.04 -38.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -73.31 -45.7 53.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 6' ' ' GLU . 0.3 OUTLIER -56.66 -47.47 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.427 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -39.94 -39.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -69.46 -46.39 66.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.475 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 7.5 m-85 -56.48 -30.06 62.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 111.047 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 15.8 mttp -39.7 -64.07 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -46.17 -38.66 8.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 12' ' ' PHE . . . -52.48 -55.43 22.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.632 ' CE1' HD13 ' A' ' 27' ' ' ILE . 66.4 t80 -53.47 -36.37 61.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.4 t -57.16 -52.24 66.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.961 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -36.89 -45.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.472 ' CB ' HD11 ' A' ' 27' ' ' ILE . 43.0 m-85 -83.8 -45.64 13.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.497 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 19.2 t0 -83.18 87.88 6.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -58.62 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.41 ' OD2' ' CD ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -49.29 -23.29 1.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 59.87 15.45 35.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 41.8 p-10 -59.35 -33.94 71.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.776 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.458 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 128.04 -0.59 6.63 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.3 p -132.23 146.33 51.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 110.387 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.632 HD13 ' CE1' ' A' ' 16' ' ' PHE . 87.4 mt -113.19 101.96 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.549 ' OG1' ' N ' ' A' ' 29' ' ' THR . 6.5 t -74.97 -152.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.362 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.549 ' N ' ' OG1' ' A' ' 28' ' ' THR . 25.1 p -89.3 -49.63 6.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.398 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -30.9 65.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' CD ' ' OD2' ' A' ' 22' ' ' ASP . 1.4 mm-40 -80.43 -25.17 39.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.485 ' CD2' HD21 ' A' ' 48' ' ' LEU . 2.6 tp -80.97 -20.1 42.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.16 23.13 32.86 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.424 ' HA ' ' NE ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -111.41 -30.89 7.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 110.355 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 2.3 t -82.95 -25.72 8.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -42.93 65.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.424 ' NE ' ' HA ' ' A' ' 34' ' ' THR . 6.1 ptp180 -58.42 -17.07 17.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 m -92.4 6.27 47.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.988 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.8 1.98 8.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.94 28.03 22.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.67 -178.94 3.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 110.362 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.8 t30 175.69 72.17 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 138.44 22.98 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.8 p -60.51 156.53 16.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.385 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -52.86 -28.39 22.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.84 -44.7 80.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -58.77 -61.77 2.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 51' ' ' MET . 8.8 mt -45.03 -59.27 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -41.46 -42.43 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.281 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -40.73 82.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' LEU . 10.1 mtp -67.28 -58.46 4.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.9 mt -43.25 -47.45 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -50.66 -41.9 55.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' MET . 11.9 mt-10 -58.08 -30.82 66.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.511 ' CG2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -115.11 32.55 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.35 104.48 2.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.41 -14.35 22.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.483 ' OD2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -73.11 -44.08 60.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.32 30.19 17.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.483 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 50.3 p-10 -81.07 -17.99 48.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.454 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 97.7 -30.72 8.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.413 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 2.6 p -98.41 167.61 10.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.1 mm -116.09 130.89 70.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.634 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.6 m-20 -102.11 -174.59 2.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.721 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 7.9 t80 -68.5 -45.16 36.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.721 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -74.99 -9.23 20.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.52 ' O ' ' CG2' ' A' ' 70' ' ' THR . 1.5 mm-40 -99.89 -27.54 13.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.581 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -93.18 -31.33 14.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.476 HD23 ' CD1' ' A' ' 9' ' ' ILE . 12.8 mt -46.46 -31.23 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.52 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -69.57 -37.42 76.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -54.88 -59.45 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.581 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -52.54 -39.65 61.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.02 -55.75 29.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -117.93 71.37 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 1.016 ' OXT' ' CG ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.9 mtm . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.502 0.191 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -144.74 -160.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 3' ' ' GLN . 29.5 p-10 -123.44 166.06 16.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 1.1 mt-30 163.83 130.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.501 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.3 OUTLIER -78.92 177.08 9.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.501 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -155.0 -164.24 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 9' ' ' ILE . 64.2 mt-10 -42.93 -32.25 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.49 -40.89 1.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.45 -43.33 99.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.486 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -55.81 -47.93 78.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.431 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -42.38 -36.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -70.44 -43.02 70.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 9' ' ' ILE . 4.0 m-85 -61.86 -32.17 72.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.551 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 72.8 mttt -38.25 -59.18 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -51.04 -42.34 60.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -49.42 -53.33 23.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.617 ' CE1' HD13 ' A' ' 27' ' ' ILE . 77.0 t80 -53.05 -36.91 61.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -54.55 -52.57 61.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.982 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.469 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -35.79 -51.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.467 ' CB ' HD11 ' A' ' 27' ' ' ILE . 67.8 m-85 -76.53 -42.84 41.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.509 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 24.8 t0 -86.66 93.12 9.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -60.16 3.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -49.47 -24.23 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 61.68 16.95 52.87 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 35.7 p-10 -60.75 -33.67 73.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 130.23 -11.79 5.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.9 p -121.08 146.55 46.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.617 HD13 ' CE1' ' A' ' 16' ' ' PHE . 78.5 mt -113.86 105.92 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.516 ' OG1' ' N ' ' A' ' 29' ' ' THR . 9.3 t -76.77 -152.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.358 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.516 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.9 p -83.06 -57.69 3.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 34' ' ' THR . 3.5 tttt -51.72 -55.7 18.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -53.92 -20.68 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.471 ' CD2' HD21 ' A' ' 48' ' ' LEU . 1.7 tp -88.02 -42.99 12.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.7 -10.83 85.98 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 30' ' ' LYS . 0.8 OUTLIER -71.64 -67.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 110.431 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 2.1 t -45.26 -31.63 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -44.92 89.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -69.21 -26.48 64.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.3 p -88.0 3.51 48.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.26 -78.52 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.39 34.97 0.08 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -137.21 -175.66 4.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 t30 176.99 65.54 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.422 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 18.1 Cg_endo -75.08 144.0 29.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.456 1.767 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.5 p -70.78 162.6 28.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -55.84 -19.2 10.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.86 -45.93 19.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.45 -61.44 2.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 51' ' ' MET . 9.4 mt -41.72 -57.82 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 48' ' ' LEU . 2.9 tp60 -38.06 -43.85 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.38 -44.2 68.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 48' ' ' LEU . 13.0 mtt -61.72 -38.54 88.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.403 ' O ' HD13 ' A' ' 63' ' ' ILE . 1.8 mt -65.44 -50.74 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -62.83 -40.31 97.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -40.7 -34.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.443 HG21 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -111.91 -49.27 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 1.6 t70 -62.56 95.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.41 -8.55 50.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.469 ' OD2' ' CB ' ' A' ' 60' ' ' ASN . 4.8 p-10 -77.87 -26.89 49.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 53.95 38.24 59.84 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.445 1.09 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.469 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 2.8 p-10 -102.63 -5.01 24.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 0.799 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.492 ' C ' ' CG2' ' A' ' 62' ' ' THR . . . 97.55 143.4 14.84 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.492 ' CG2' ' C ' ' A' ' 61' ' ' GLY . 1.0 OUTLIER 65.66 172.56 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 110.421 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -123.71 135.17 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.642 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 12.7 m-20 -103.39 -173.34 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.702 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 5.8 t80 -66.4 -45.01 58.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.96 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.96 -9.07 20.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.467 ' O ' ' CG2' ' A' ' 70' ' ' THR . 3.0 mm-40 -100.84 -27.45 13.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.573 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -93.66 -30.05 15.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.486 HD23 ' CD1' ' A' ' 9' ' ' ILE . 11.0 mt -46.0 -32.8 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -69.63 -38.29 77.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -52.81 -53.17 52.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.573 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -57.98 -43.99 86.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.51 -46.75 70.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -111.87 62.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.1 tmm? . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.49 0.186 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . 176.84 166.18 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -88.31 166.83 14.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 78.07 157.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.79 -171.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 p -76.44 155.6 33.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.8 -51.14 68.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -39.35 -37.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.449 ' CA ' ' OE1' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -76.23 -50.47 14.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -54.06 -43.34 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -42.63 -39.95 2.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -65.56 -41.17 93.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 9' ' ' ILE . 49.4 m-85 -66.53 -35.9 81.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.574 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 13.3 mttt -39.4 -58.38 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -50.83 -41.62 57.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -55.91 -54.99 38.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.623 ' CE1' HD13 ' A' ' 27' ' ' ILE . 41.1 t80 -53.72 -31.53 48.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -61.33 -50.85 71.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -39.48 -61.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.469 ' CB ' HD11 ' A' ' 27' ' ' ILE . 49.6 m-85 -64.73 -45.81 84.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 3.7 t70 -76.87 84.33 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.96 22.52 5.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -115.73 -13.88 11.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.02 79.81 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 7.0 p-10 -146.85 -41.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 0.817 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 128.06 6.69 4.81 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.142 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 0.7 OUTLIER -137.54 152.93 49.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.405 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.623 HD13 ' CE1' ' A' ' 16' ' ' PHE . 71.4 mt -118.87 102.61 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.549 ' OG1' ' N ' ' A' ' 29' ' ' THR . 6.7 t -74.81 -152.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.423 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.549 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.1 p -89.18 -51.64 5.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 110.412 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.59 -31.76 66.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -79.61 -24.47 41.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.447 ' CD2' HD21 ' A' ' 48' ' ' LEU . 1.9 tp -82.26 -27.59 32.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.92 0.5 60.69 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.04 -39.53 21.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.357 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -73.97 -25.12 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.02 -39.89 60.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -78.48 -9.24 59.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.14 -11.6 57.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.048 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.04 -77.25 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.56 31.99 0.1 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -125.05 -176.49 3.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 110.245 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.5 t30 176.09 70.29 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 124.08 8.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.483 1.78 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.7 p -50.27 156.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -52.45 -30.57 30.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.49 -44.05 92.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.7 -62.95 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 51' ' ' MET . 12.1 mt -44.32 -59.17 2.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -40.79 -44.68 2.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -39.63 88.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.513 ' N ' ' O ' ' A' ' 48' ' ' LEU . 59.1 mtp -70.0 -54.67 12.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -45.54 -45.65 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -52.55 -36.21 55.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 51' ' ' MET . 10.1 mt-10 -63.07 -31.22 72.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.472 ' CG2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -115.89 34.26 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -158.66 95.29 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.89 -8.42 49.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -80.6 -35.66 33.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.52 34.49 49.76 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 40.9 p-10 -77.11 -21.46 54.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.13 -29.12 11.1 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.442 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 43.7 p -109.59 -178.45 3.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 0.738 . . . . 0.0 110.377 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.472 HD13 ' CG2' ' A' ' 55' ' ' VAL . 1.2 mm -121.49 145.64 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.6 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.2 m-20 -113.27 -170.14 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.704 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 9.1 t80 -76.37 -44.99 3.5 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.704 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.97 -13.0 21.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.428 ' CG ' ' HB2' ' A' ' 64' ' ' ASP . 0.9 OUTLIER -95.26 -26.7 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.548 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -91.99 -38.01 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.475 HD23 ' CD1' ' A' ' 9' ' ' ILE . 11.1 mt -38.63 -42.02 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.464 HG22 ' CG1' ' A' ' 55' ' ' VAL . 3.2 t -56.31 -50.03 72.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.444 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -42.98 -52.0 5.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.548 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -58.37 -48.98 78.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.46 -44.84 46.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -116.83 68.76 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.555 0.217 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -155.58 91.74 1.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.5 142.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -141.81 93.65 2.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.507 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.8 OUTLIER -96.35 -156.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.507 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER 67.35 -149.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.473 ' N ' ' OG1' ' A' ' 5' ' ' THR . 32.0 mt-10 -33.38 -53.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' GLU . 2.1 mm-40 -37.24 -43.29 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.1 tp-100 -65.52 -53.2 45.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -49.31 -48.66 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . -36.93 -39.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -68.15 -52.72 31.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 9' ' ' ILE . 37.8 m-85 -45.75 -26.26 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -41.87 -59.24 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.63 -44.64 63.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.35 -55.86 8.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.649 ' CE1' HD13 ' A' ' 27' ' ' ILE . 58.3 t80 -53.95 -34.07 58.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -59.17 -50.29 74.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -36.77 -53.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.492 ' CB ' HD11 ' A' ' 27' ' ' ILE . 75.4 m-85 -75.14 -44.61 46.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.498 ' HB2' HG12 ' A' ' 27' ' ' ILE . 22.0 t0 -82.67 87.96 6.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -63.04 -59.15 5.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.64 -22.57 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.47 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 56.99 16.38 17.9 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 p30 -60.52 -27.33 67.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.6 7.98 8.57 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 12.1 p -139.7 149.79 44.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 110.424 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.649 HD13 ' CE1' ' A' ' 16' ' ' PHE . 82.4 mt -116.77 108.09 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.37 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.586 ' OG1' ' N ' ' A' ' 29' ' ' THR . 5.0 t -79.77 -150.84 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.394 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.586 ' N ' ' OG1' ' A' ' 28' ' ' THR . 15.8 p -89.62 -47.87 7.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.456 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -61.51 -41.09 96.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -69.24 -21.89 63.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.459 HD22 ' CD2' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -86.35 -37.64 18.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.27 6.44 76.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.35 -61.94 1.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 110.422 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 t -50.47 -25.5 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -29.8 68.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.458 ' NH2' ' CG ' ' A' ' 42' ' ' ASN . 1.3 mmt180 -50.72 -52.79 37.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.6 m -52.52 -29.85 27.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -92.87 36.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 38.03 29.7 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' LEU . 10.3 mt-30 -105.89 -178.29 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 0.739 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.458 ' CG ' ' NH2' ' A' ' 37' ' ' ARG . 14.7 t-20 170.17 74.11 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 130.82 13.58 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.82 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.2 p -50.2 155.82 0.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.447 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -52.41 -34.81 49.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.29 98.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -61.77 2.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 51' ' ' MET . 8.0 mt -45.59 -57.9 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -42.74 -41.75 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.251 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -39.67 82.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.2 mtt -67.89 -55.82 11.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.412 ' O ' HD12 ' A' ' 63' ' ' ILE . 5.1 mt -44.66 -46.63 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -51.41 -50.29 59.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -51.42 -33.65 31.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.483 HG13 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -110.06 34.51 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -159.17 108.87 1.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.99 -10.01 20.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.483 ' OD2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -77.7 -42.82 33.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.13 31.24 23.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.483 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 29.6 p-10 -79.02 -17.73 54.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.2 -28.98 12.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.5 m -103.12 169.22 8.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 0.778 . . . . 0.0 110.399 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.536 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.1 mm -113.9 139.15 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.618 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.1 m-20 -105.81 -170.8 1.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.704 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 19.7 t80 -78.18 -43.85 2.18 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.704 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.1 Cg_endo -75.02 -18.4 18.71 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -89.53 -25.04 21.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.544 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -90.32 -33.48 16.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 9' ' ' ILE . 11.6 mt -39.76 -45.64 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.483 ' CG2' HG13 ' A' ' 55' ' ' VAL . 3.8 t -51.9 -47.9 64.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.406 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -47.31 -53.25 14.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.544 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.0 mmt -52.54 -49.02 65.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.3 -52.88 9.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.489 ' O ' ' OXT' ' A' ' 75' ' ' LYS . 24.3 mtm180 -116.15 74.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.489 ' OXT' ' O ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.511 0.196 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -170.71 127.02 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -166.91 146.49 5.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -155.74 122.04 5.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.504 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.8 OUTLIER -100.52 -154.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.504 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER 67.58 -147.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.5 ' N ' ' OG1' ' A' ' 5' ' ' THR . 42.5 mt-10 -34.46 -52.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.247 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 6' ' ' GLU . 1.6 mm-40 -37.74 -41.64 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -66.09 -54.31 27.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.47 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -48.09 -48.97 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.441 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -37.7 -38.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.24 -52.54 32.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' ILE . 34.2 m-85 -44.8 -26.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -43.84 -51.63 7.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -58.27 -41.51 84.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.244 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.63 -54.07 38.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.601 ' CE1' HD13 ' A' ' 27' ' ' ILE . 47.4 t80 -53.25 -35.58 60.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' LEU . 15.2 m -58.64 -50.45 73.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -35.55 -52.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.494 ' CB ' HD11 ' A' ' 27' ' ' ILE . 53.8 m-85 -76.27 -47.19 24.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.498 ' HB2' HG12 ' A' ' 27' ' ' ILE . 14.3 t0 -80.26 89.53 5.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -67.06 -54.35 22.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.62 -23.86 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.92 15.97 30.13 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.445 ' OD2' ' CG2' ' A' ' 26' ' ' THR . 11.5 p-10 -61.59 -31.45 71.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 0.733 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.46 4.93 7.38 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.445 ' CG2' ' OD2' ' A' ' 24' ' ' ASP . 1.4 t -137.12 154.61 50.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 110.406 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.601 HD13 ' CE1' ' A' ' 16' ' ' PHE . 85.3 mt -121.05 111.58 32.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.556 ' OG1' ' N ' ' A' ' 29' ' ' THR . 6.3 t -84.18 -150.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.556 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.1 p -86.95 -48.85 7.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.384 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -52.3 66.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -58.4 -23.47 57.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.358 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 28' ' ' THR . 0.9 OUTLIER -85.88 -38.94 17.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.428 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -82.01 -1.36 90.28 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.535 1.147 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -82.94 -67.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 110.389 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 t -43.73 -26.97 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.432 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -67.1 -44.71 79.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.447 ' NH2' ' OD1' ' A' ' 42' ' ' ASN . 1.9 mtt-85 -53.75 -26.42 23.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.23 -1.56 37.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.51 15.97 11.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.77 19.22 76.56 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -106.12 176.06 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.447 ' OD1' ' NH2' ' A' ' 37' ' ' ARG . 30.3 t-20 176.46 72.0 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 132.56 15.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.1 p -48.08 169.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 110.37 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.45 -23.64 65.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.47 -44.51 67.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.27 -62.36 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 51' ' ' MET . 7.3 mt -42.34 -58.71 2.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -39.56 -46.58 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -44.51 95.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 48' ' ' LEU . 6.0 mtt -62.45 -41.94 99.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.423 ' O ' ' HB3' ' A' ' 56' ' ' ASP . 5.4 mt -63.28 -32.95 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -83.95 -10.75 57.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 51' ' ' MET . 2.3 mt-10 -80.78 -14.61 57.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.484 HG13 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -122.04 -42.74 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.423 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 27.3 t70 -74.77 112.54 11.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.99 -8.03 26.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.448 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -80.22 -36.49 34.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.23 32.96 41.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.448 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 35.8 p-10 -76.37 -21.68 55.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.84 -38.4 3.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.1 p -101.38 179.21 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 0.81 . . . . 0.0 110.389 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.46 ' CD1' HG21 ' A' ' 55' ' ' VAL . 1.3 mm -119.74 144.09 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.62 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 50.4 m-20 -109.4 -170.94 1.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.704 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 35.3 t80 -77.6 -43.96 2.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.704 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -75.06 -20.97 16.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.475 1.776 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.32 -26.83 26.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.442 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -87.27 -29.86 21.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 111.009 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.47 HD23 ' CD1' ' A' ' 9' ' ' ILE . 7.9 mt -45.89 -55.89 6.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.484 ' CG2' HG13 ' A' ' 55' ' ' VAL . 8.8 t -40.36 -49.83 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.47 ' HA ' ' CG ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -49.92 -39.09 39.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 111.049 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' LEU . 1.5 mmt -70.89 -33.66 70.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.43 -39.01 59.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.47 ' CG ' ' HA ' ' A' ' 71' ' ' MET . 0.8 OUTLIER -88.93 37.69 0.85 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.439 ' O ' ' CB ' ' A' ' 1' ' ' ALA . 3.0 ttp . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.497 0.189 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 0' ' ' MET . . . 167.51 172.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -137.28 -162.24 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -157.03 119.59 3.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.518 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.9 OUTLIER -110.35 -154.33 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.518 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 1.1 p 68.39 -151.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.377 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 5' ' ' THR . 42.3 mt-10 -33.85 -49.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' GLU . 2.5 mm-40 -37.77 -42.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -73.68 -49.92 23.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.502 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -54.56 -46.39 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . -37.56 -37.92 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -70.77 -50.73 32.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 9' ' ' ILE . 34.6 m-85 -46.91 -31.52 3.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 4.2 mttp -39.6 -59.06 1.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -50.94 -41.9 59.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -49.12 -55.71 11.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.613 ' CE1' HD13 ' A' ' 27' ' ' ILE . 64.8 t80 -51.56 -34.09 35.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.3 m -56.56 -51.68 67.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -38.43 -54.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.477 ' CB ' HD11 ' A' ' 27' ' ' ILE . 56.8 m-85 -72.11 -45.71 59.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.107 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.499 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 25.5 t0 -83.45 95.96 8.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' A' ' 23' ' ' GLY . 13.2 tttt -67.32 -60.81 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 1.5 p-10 -49.35 -22.78 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 57.92 16.19 23.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.551 1.157 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 48.3 p-10 -60.84 -27.55 68.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 0.746 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 121.87 9.05 7.07 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.1 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 3.0 p -137.98 152.7 49.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 0.794 . . . . 0.0 110.371 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.613 HD13 ' CE1' ' A' ' 16' ' ' PHE . 81.7 mt -122.43 104.6 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.6 t -77.73 -152.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.521 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.2 p -81.64 -56.64 3.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.413 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 33' ' ' GLY . 14.4 tttt -52.89 -60.14 3.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -49.67 -23.12 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.473 ' CD2' HD21 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -88.34 -33.35 18.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' LYS . . . -87.58 -3.51 80.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -81.4 -68.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.417 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 2.2 t -42.81 -27.59 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.436 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.1 OUTLIER -64.63 -45.84 85.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' THR . 2.8 mtm180 -67.76 -16.27 64.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -98.23 15.38 24.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.132 . . . . 0.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.88 -46.45 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.19 42.45 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.436 ' NE2' ' SD ' ' A' ' 36' ' ' MET . 11.8 mt-30 -139.52 179.95 6.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.783 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.418 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 55.8 t-20 176.26 64.43 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.01 127.18 10.47 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.5 1.789 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.4 p -48.22 157.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.377 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -54.7 -27.41 40.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.96 -44.06 70.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.48 -61.04 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 51' ' ' MET . 7.3 mt -42.41 -58.07 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -43.3 -45.8 6.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.306 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -36.2 83.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.7 mtt -74.55 -45.71 43.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.42 HG21 HG12 ' A' ' 63' ' ' ILE . 1.4 mt -54.5 -32.0 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -74.31 -18.51 60.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' MET . 6.5 mt-10 -85.8 -16.03 40.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.464 ' CG1' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -124.53 36.28 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -170.06 123.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.52 11.9 38.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.479 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -111.56 -33.14 6.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 50.59 42.83 45.02 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.479 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 21.9 p-10 -71.96 -20.63 61.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 0.753 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.24 16.56 6.08 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.441 1.088 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -160.48 164.67 32.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 110.379 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 27' ' ' ILE . 2.3 mm -112.32 139.96 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.651 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.6 m-20 -115.8 -174.17 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.72 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 17.0 t80 -68.25 -44.53 37.23 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.05 -7.18 18.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.782 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' CG ' ' HB2' ' A' ' 64' ' ' ASP . 1.2 mm-40 -103.42 -33.88 8.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.536 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -85.73 -34.14 21.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.502 HD23 ' CD1' ' A' ' 9' ' ' ILE . 8.9 mt -37.13 -47.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.464 HG22 ' CG1' ' A' ' 55' ' ' VAL . 9.9 t -50.36 -52.27 38.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.435 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -40.83 -47.77 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.536 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -67.33 -40.79 85.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.95 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.52 -45.39 87.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -117.96 66.0 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.455 0.169 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -167.5 172.13 9.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 3' ' ' GLN . 60.1 m-20 -85.73 178.15 7.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 2' ' ' ASP . 5.1 tt0 60.73 127.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.504 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.4 OUTLIER -53.88 176.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.504 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -154.66 -162.57 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 9' ' ' ILE . 48.1 mt-10 -41.95 -37.21 1.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 110.313 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -38.7 -38.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -80.27 -42.64 22.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.471 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -61.92 -36.08 71.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.69 -39.32 5.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.51 -37.95 83.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 9' ' ' ILE . 4.8 m-85 -68.78 -33.31 73.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 32.3 mttt -39.99 -63.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -45.24 -37.54 4.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -58.26 -53.59 56.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.641 ' CE1' HD13 ' A' ' 27' ' ' ILE . 66.2 t80 -61.17 -34.66 75.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.2 m -58.74 -50.51 73.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.476 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -38.19 -51.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.48 ' CB ' HD11 ' A' ' 27' ' ' ILE . 69.8 m-85 -75.52 -48.2 23.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.489 ' HB2' HG12 ' A' ' 27' ' ' ILE . 7.9 t0 -81.41 95.11 6.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.15 -51.58 13.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -50.61 -22.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.67 14.48 29.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -63.08 -29.7 71.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.43 13.37 6.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.57 1.169 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.407 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 66.8 p -142.68 153.47 43.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 110.402 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.641 HD13 ' CE1' ' A' ' 16' ' ' PHE . 73.6 mt -123.05 106.34 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.544 ' OG1' ' N ' ' A' ' 29' ' ' THR . 5.4 t -79.06 -142.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.544 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.0 p -93.46 -50.08 5.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -52.99 62.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -59.11 -21.52 59.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.463 ' CD2' HD21 ' A' ' 48' ' ' LEU . 2.6 tp -85.11 -32.12 22.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.62 -5.66 74.48 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 37' ' ' ARG . 1.4 m -77.83 -64.99 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 110.4 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 2.2 t -45.88 -26.78 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -42.91 73.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.432 ' CZ ' ' OD1' ' A' ' 42' ' ' ASN . 2.0 mtt-85 -54.56 -26.6 33.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -73.88 -20.01 60.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.41 22.6 14.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 63.09 26.86 69.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.453 1.095 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -110.57 177.97 4.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.744 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.432 ' OD1' ' CZ ' ' A' ' 37' ' ' ARG . 14.4 t-20 175.86 73.63 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 144.66 30.45 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.0 p -62.6 156.83 22.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -54.4 -30.06 50.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.53 82.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.43 -59.85 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 51' ' ' MET . 7.6 mt -48.01 -59.02 3.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -41.35 -41.54 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -41.59 83.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.4 mtt -66.89 -55.22 15.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.3 mt -45.15 -50.37 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -47.72 -43.01 26.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -52.53 -38.31 59.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.486 ' CG2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -112.94 35.78 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -155.12 92.59 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.96 -12.19 42.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.465 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -76.41 -40.22 51.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.0 32.6 25.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.465 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 33.1 p-10 -80.76 -17.99 49.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.87 -30.31 10.01 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.409 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 1.1 m -101.43 168.26 9.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 110.428 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.516 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.2 mm -114.82 139.52 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.608 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 36.5 m-20 -111.42 -172.14 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.678 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 7.6 t80 -75.16 -44.76 4.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.678 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -75.03 -10.81 21.33 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.446 ' CG ' ' HB2' ' A' ' 64' ' ' ASP . 1.4 mm-40 -97.07 -28.32 14.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.329 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -93.11 -36.83 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.471 HD23 ' CD1' ' A' ' 9' ' ' ILE . 12.4 mt -38.66 -40.03 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.442 ' CG2' HG13 ' A' ' 55' ' ' VAL . 3.5 t -57.68 -51.61 68.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -39.13 -51.09 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.6 mmt -62.34 -49.23 76.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.68 -43.84 72.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -123.8 73.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.981 ' HG2' ' OXT' ' A' ' 75' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.443 ' O ' ' CB ' ' A' ' 1' ' ' ALA . 6.2 ptp . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.529 0.204 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 0' ' ' MET . . . 166.58 149.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -179.72 84.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 178.57 126.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.468 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.3 OUTLIER -82.05 176.81 9.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.468 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -151.69 -164.81 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.411 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 9' ' ' ILE . 38.3 mt-10 -46.27 -32.52 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' GLU . 1.5 mm-40 -38.46 -41.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -47.91 71.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.488 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -53.1 -51.79 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.488 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -38.94 -37.92 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.44 -49.53 54.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 9' ' ' ILE . 22.0 m-85 -51.28 -29.94 16.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' PHE . 38.7 mttt -39.65 -63.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -47.75 -42.69 26.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.95 -57.03 8.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.643 ' CE1' ' CD1' ' A' ' 27' ' ' ILE . 71.9 t80 -53.63 -35.98 61.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.5 t -57.64 -51.07 71.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -38.39 -51.42 1.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.478 ' CB ' HD12 ' A' ' 27' ' ' ILE . 60.6 m-85 -74.77 -43.9 52.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.48 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 30.6 t0 -83.44 95.49 8.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.409 ' C ' ' N ' ' A' ' 23' ' ' GLY . 1.8 tmtt? -65.67 -62.34 1.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -48.88 -23.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 57.93 17.06 27.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 35.7 p-10 -60.55 -29.09 68.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 124.02 4.7 7.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 31.0 p -136.37 146.93 47.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.643 ' CD1' ' CE1' ' A' ' 16' ' ' PHE . 83.2 mt -114.85 121.54 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.517 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.6 t -96.26 -154.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.415 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.517 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.5 p -79.99 -56.55 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.434 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -54.37 -60.33 3.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -43.29 -34.98 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.454 ' CD2' HD21 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -75.5 -53.6 8.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -60.97 -13.28 33.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.408 ' C ' ' N ' ' A' ' 36' ' ' MET . 0.9 OUTLIER -70.14 -70.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.399 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.406 ' N ' HG23 ' A' ' 34' ' ' THR . 2.4 t -48.06 -24.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.408 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -70.95 -43.59 67.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.41 ' NE ' ' O ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -68.33 -22.38 64.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.319 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -103.25 42.87 1.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.04 -44.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.14 42.74 0.09 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.117 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -143.42 177.49 8.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.793 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.42 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 7.5 t-20 176.46 64.37 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.03 120.36 6.03 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.477 1.777 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.5 p -41.21 157.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.363 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.59 -29.26 58.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.86 -47.21 66.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.73 -57.77 10.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 51' ' ' MET . 5.9 mt -46.46 -57.64 4.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -38.57 -45.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.236 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -44.86 78.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' LEU . 6.2 mtt -61.19 -39.77 91.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.401 ' CG2' HG12 ' A' ' 63' ' ' ILE . 4.0 mt -73.45 -29.21 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -86.13 10.62 13.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 51' ' ' MET . 1.5 mt-10 -98.44 -20.82 16.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.441 HG21 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -117.31 -39.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.406 ' OD1' ' OD2' ' A' ' 58' ' ' ASP . 11.1 t0 -69.78 84.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.68 -11.39 59.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -80.56 -29.31 37.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.56 33.3 61.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 47.3 p-10 -74.6 -23.32 58.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 109.23 -34.31 5.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.411 HG21 ' ND2' ' A' ' 60' ' ' ASN . 5.3 t -106.33 -173.78 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.41 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.441 ' CD1' HG21 ' A' ' 55' ' ' VAL . 1.1 mm -127.46 140.61 48.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.616 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 8.3 m-20 -108.64 -167.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.739 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 15.9 t80 -76.92 -44.44 2.92 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -75.04 -14.5 21.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.493 ' O ' ' CG2' ' A' ' 70' ' ' THR . 2.1 mm-40 -91.67 -29.45 16.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -89.85 -29.5 18.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.3 mt -47.44 -36.41 9.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -68.9 -37.81 79.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -48.07 69.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.57 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.0 mmt -63.89 -47.46 80.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.4 -46.01 87.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -109.03 58.7 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.485 0.183 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . 171.86 161.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.38 126.05 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -172.69 127.38 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.477 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.3 OUTLIER -83.49 176.09 9.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.477 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -153.07 -164.16 1.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.379 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 9' ' ' ILE . 26.9 mt-10 -43.54 -34.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' GLU . 2.1 mt-10 -37.74 -42.0 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -47.97 76.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.475 ' CD1' HD23 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -51.9 -46.94 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.418 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -41.67 -38.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -70.32 -45.12 66.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 15' ' ' ALA . 30.3 m-85 -57.4 -32.87 67.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 10.6 mtmm -40.26 -57.15 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -52.28 -39.34 60.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -52.43 -52.97 51.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.64 ' CE1' HD13 ' A' ' 27' ' ' ILE . 67.5 t80 -51.48 -37.27 48.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 18' ' ' LEU . 16.1 m -55.81 -52.73 62.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.037 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -34.98 -49.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.48 ' CB ' HD11 ' A' ' 27' ' ' ILE . 81.4 m-85 -78.76 -48.87 14.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.478 ' HB2' HG12 ' A' ' 27' ' ' ILE . 36.6 t0 -80.2 83.05 6.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -39.04 87.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -67.51 -22.29 65.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.478 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 56.86 16.33 17.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -60.87 -37.1 80.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.44 -6.2 4.93 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 p -130.4 147.2 52.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 0.76 . . . . 0.0 110.415 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.64 HD13 ' CE1' ' A' ' 16' ' ' PHE . 91.3 mt -113.79 104.74 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.526 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.2 t -73.01 -153.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.381 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.526 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.8 p -84.16 -52.81 5.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 110.385 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' GLY . 26.4 tttt -54.28 -57.62 10.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -52.18 -21.44 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.491 ' CD2' HD21 ' A' ' 48' ' ' LEU . 1.5 tp -87.41 -28.93 21.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.442 ' CA ' HD23 ' A' ' 48' ' ' LEU . . . -89.7 -2.61 75.47 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -82.57 -66.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.748 . . . . 0.0 110.375 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.41 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 2.2 t -44.15 -27.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.406 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -66.38 -44.38 83.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 111.011 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.6 OUTLIER -52.71 -24.23 8.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 m -73.34 -21.55 60.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.45 26.46 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.14 23.6 62.1 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.445 1.091 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -105.19 -177.11 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 0.808 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.5 t30 170.61 71.06 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 144.11 29.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.2 p -62.08 167.7 3.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -63.03 -22.47 66.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.93 -48.97 41.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -55.97 -56.59 18.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.491 HD21 ' CD2' ' A' ' 32' ' ' LEU . 6.9 mt -48.63 -56.92 7.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -41.2 -38.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -42.59 58.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.5 mtt -63.69 -42.63 97.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.403 ' O ' HD13 ' A' ' 63' ' ' ILE . 4.0 mt -59.66 -61.3 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -40.95 -52.59 3.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -43.68 -46.89 7.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.407 ' O ' HD12 ' A' ' 63' ' ' ILE . 0.7 OUTLIER -104.63 34.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.51 91.46 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.38 -1.92 58.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -87.41 -27.22 22.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 47.8 40.02 18.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 30.4 p-10 -101.58 -7.08 23.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.22 142.15 10.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.1 p 61.85 175.04 0.12 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 0.773 . . . . 0.0 110.438 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.2 mm -121.46 137.6 54.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.647 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.1 m-20 -99.86 -172.48 2.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.727 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 28.7 t80 -70.75 -44.46 16.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.727 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.96 -14.45 21.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.432 1.754 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.517 ' O ' ' CG2' ' A' ' 70' ' ' THR . 18.3 mt-10 -95.56 -22.89 17.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.526 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.3 OUTLIER -94.18 -32.22 13.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.946 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.475 HD23 ' CD1' ' A' ' 9' ' ' ILE . 9.5 mt -45.32 -35.77 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.517 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -62.02 -38.91 90.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 110.415 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -55.97 -58.12 9.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.526 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.1 mmt -50.15 -40.94 48.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.33 -54.42 17.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.9 mtm180 -110.28 71.18 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.547 0.213 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -171.59 82.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.89 -174.86 2.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 4' ' ' LEU . 2.2 tt0 -126.92 159.84 32.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.622 ' O ' ' O ' ' A' ' 5' ' ' THR . 1.7 pp -54.81 -168.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.622 ' O ' ' O ' ' A' ' 4' ' ' LEU . 4.8 p 51.07 153.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' HG23 ' A' ' 9' ' ' ILE . 34.5 mt-10 68.97 -54.17 0.57 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -76.83 -47.44 21.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -48.1 -41.51 26.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 110.315 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -54.65 -50.46 59.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.47 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -40.19 -36.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -70.63 -47.89 57.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 9' ' ' ILE . 19.5 m-85 -53.84 -33.07 55.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.565 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 15.3 mtmt -40.41 -56.59 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -52.78 -40.78 63.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -52.98 -55.64 22.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.615 ' CE1' ' CD1' ' A' ' 27' ' ' ILE . 59.8 t80 -46.56 -34.1 4.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.3 t -55.46 -53.83 51.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -38.3 -54.4 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.457 ' CB ' HD12 ' A' ' 27' ' ' ILE . 69.4 m-85 -71.26 -48.33 51.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.513 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 25.2 t0 -82.4 96.07 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.424 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -67.29 -60.54 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -49.7 -21.43 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 54.73 18.61 11.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.456 1.097 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.9 p30 -63.44 -23.96 67.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.17 9.44 8.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 2.5 p -137.87 162.97 32.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.455 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.615 ' CD1' ' CE1' ' A' ' 16' ' ' PHE . 81.0 mt -131.23 116.52 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.573 ' OG1' ' N ' ' A' ' 29' ' ' THR . 5.3 t -92.98 -152.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.402 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.573 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.9 p -90.02 -39.13 13.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.413 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -24.89 63.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.368 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -91.31 -12.81 33.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.469 ' CD2' HD21 ' A' ' 48' ' ' LEU . 1.6 tp -94.08 -37.43 11.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -83.62 -5.76 87.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -76.83 -65.25 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.408 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.57 -26.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.265 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.405 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -71.33 -41.82 69.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.446 ' NE ' ' O ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -68.27 -42.05 80.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.8 m -52.13 -25.16 8.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.959 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.0 -85.82 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.05 31.64 0.12 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -124.82 179.17 5.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 110.281 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 177.98 71.73 0.11 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 134.35 17.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.6 p -53.32 157.97 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.18 -24.84 57.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.29 -44.13 72.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.88 -62.27 2.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 51' ' ' MET . 6.7 mt -42.95 -58.46 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -41.39 -43.86 2.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -40.31 82.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.8 mtt -68.33 -48.85 63.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.422 HG22 HG12 ' A' ' 63' ' ' ILE . 1.1 mt -52.42 -51.17 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -48.55 -51.81 25.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -48.57 -38.2 19.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.464 ' CG1' HG22 ' A' ' 70' ' ' THR . 1.2 m -107.83 38.02 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -163.53 111.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.57 -10.1 18.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -84.5 -20.04 32.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.436 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 40.11 43.33 2.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -83.99 -19.08 35.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 0.767 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.12 42.16 2.12 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 179.27 153.34 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 0.73 . . . . 0.0 110.388 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' ILE . 2.7 mm -106.51 137.04 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.659 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.1 m-20 -115.0 -171.43 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.69 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 9.3 t80 -69.81 -43.82 21.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.69 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.02 -10.04 21.0 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.5 1.79 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.5 ' O ' ' CG2' ' A' ' 70' ' ' THR . 1.4 mm-40 -100.28 -25.69 14.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.576 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -93.4 -29.14 15.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.411 HD23 ' CD1' ' A' ' 9' ' ' ILE . 13.0 mt -48.78 -25.49 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 1.3 t -75.5 -35.67 60.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.382 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -53.89 -57.69 10.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -64.89 -28.92 69.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.76 -42.26 82.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -88.12 38.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.5 ttt . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.488 0.185 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . 173.62 169.51 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -66.18 171.73 4.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 63.92 137.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.486 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.7 OUTLIER -52.77 -177.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.486 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -153.45 -161.82 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 9' ' ' ILE . 47.1 mt-10 -44.1 -39.23 4.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -38.26 -38.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 110.275 -179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -79.23 -45.72 19.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -58.77 -39.44 76.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -41.83 -39.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -68.11 -41.92 81.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 9' ' ' ILE . 8.1 m-85 -63.74 -31.9 73.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 9.8 mttp -40.48 -61.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -46.18 -37.53 7.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' PHE . . . -56.81 -54.1 50.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.654 ' CE1' HD13 ' A' ' 27' ' ' ILE . 53.5 t80 -59.39 -32.68 70.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -60.68 -50.53 73.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.042 179.95 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -39.28 -59.75 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.487 ' CB ' HD11 ' A' ' 27' ' ' ILE . 34.2 m-85 -65.01 -46.69 80.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -74.74 82.08 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.6 17.76 5.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.443 ' OD1' ' CG ' ' A' ' 24' ' ' ASP . 1.6 p30 -113.62 -19.36 11.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.08 81.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 33.1 p-10 -146.4 -42.42 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 135.38 -4.66 4.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 30.7 p -128.25 159.14 36.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 0.765 . . . . 0.0 110.41 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.654 HD13 ' CE1' ' A' ' 16' ' ' PHE . 85.3 mt -124.53 96.52 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.54 ' OG1' ' N ' ' A' ' 29' ' ' THR . 7.3 t -68.01 -152.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.54 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.0 p -90.34 -52.97 4.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -54.77 -26.54 35.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -87.41 -18.64 29.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.441 ' CD2' HD21 ' A' ' 48' ' ' LEU . 5.1 tp -87.92 -29.65 20.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.47 ' CA ' HD23 ' A' ' 48' ' ' LEU . . . -93.75 -3.33 64.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -79.68 -60.88 2.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 0.0 110.387 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 1.9 t -46.73 -32.3 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -65.74 -37.88 87.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 42' ' ' ASN . 6.3 mmt180 -41.43 -36.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -49.56 75.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.997 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' MET . 1.0 OUTLIER -69.71 -20.53 63.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.35 16.06 63.12 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.469 ' O ' ' C ' ' A' ' 42' ' ' ASN . 5.1 mt-30 -72.53 -37.66 68.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.747 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.469 ' C ' ' O ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER 34.64 71.81 0.76 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 158.3 42.35 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.476 1.777 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.9 p -82.34 155.17 24.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.04 -21.62 46.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.19 -45.63 39.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.35 -60.68 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 51' ' ' MET . 8.8 mt -42.71 -59.49 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -41.35 -47.66 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -39.79 95.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.0 mtt -69.67 -55.79 9.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 mt -45.48 -45.7 4.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -51.72 -34.9 40.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 51' ' ' MET . 15.2 mt-10 -63.04 -34.75 78.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.494 ' CG2' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -112.99 32.55 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 0.4 OUTLIER -156.59 100.93 1.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.55 -9.15 30.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -79.68 -35.8 38.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.74 32.85 44.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 52.7 p-10 -76.59 -19.72 57.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 0.802 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.492 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 103.67 -29.57 11.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.428 HG23 ' ND2' ' A' ' 60' ' ' ASN . 10.9 t -107.57 -179.26 3.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 110.419 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 27' ' ' ILE . 1.1 mm -122.83 141.42 43.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.611 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.5 m-20 -110.15 -170.99 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.689 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 9.5 t80 -75.04 -44.8 4.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.689 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.04 -11.46 21.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.467 1.772 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 64' ' ' ASP . 1.0 OUTLIER -96.96 -28.16 14.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.505 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -91.94 -37.9 12.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.481 HD23 ' CD1' ' A' ' 9' ' ' ILE . 13.4 mt -38.3 -41.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.48 ' CG2' HG13 ' A' ' 55' ' ' VAL . 2.5 t -55.75 -51.92 65.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -40.69 -51.64 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.944 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.505 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -61.95 -43.7 98.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.4 -44.57 80.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -111.36 63.31 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.935 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.611 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -52.94 24.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.523 HD11 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -47.08 -45.98 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -40.07 -37.98 0.67 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -71.84 -48.51 45.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.527 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 25.0 m-85 -49.29 -29.38 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 111.024 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -44.01 -54.72 5.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -54.49 -44.11 72.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -49.47 -54.83 15.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.62 ' CE1' ' CD1' ' A' ' 27' ' ' ILE . 46.7 t80 -53.49 -31.95 48.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -62.42 -51.96 65.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -36.66 -56.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.53 ' CB ' HD13 ' A' ' 27' ' ' ILE . 56.1 m-85 -70.52 -41.17 72.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -79.21 95.97 5.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.46 19.59 7.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -114.11 -20.18 11.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.51 16.24 21.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 37.7 p30 -81.97 -31.19 31.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.741 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 117.22 16.98 5.91 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.471 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 6.6 p -140.57 152.34 45.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 0.736 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.62 ' CD1' ' CE1' ' A' ' 16' ' ' PHE . 67.5 mt -122.16 102.77 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.63 ' O ' HD11 ' A' ' 52' ' ' ILE . 10.2 t -79.55 -154.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.488 ' N ' ' OG1' ' A' ' 28' ' ' THR . 6.1 p -80.58 -62.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.371 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -46.95 -56.6 6.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -50.1 -29.03 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.75 ' HB3' HD22 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -82.02 -39.38 23.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.29 8.54 52.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.574 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -96.06 -68.9 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.381 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.574 ' N ' HG22 ' A' ' 34' ' ' THR . 2.2 t -45.5 -31.53 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -50.51 -30.59 13.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.475 ' CZ ' HG23 ' A' ' 34' ' ' THR . 1.2 ptt180 -57.1 -30.13 64.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.1 m -67.34 -39.92 85.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.966 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.51 -12.91 59.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.75 22.26 34.17 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -108.16 176.63 5.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.4 t30 177.27 72.09 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 166.68 28.67 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.533 1.807 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 p -76.44 174.02 10.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.47 -10.79 60.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.59 -54.17 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.81 -57.42 12.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.75 HD22 ' HB3' ' A' ' 32' ' ' LEU . 6.0 mt -45.51 -58.27 3.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -39.8 -46.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -42.8 93.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.9 mtt -63.59 -40.1 96.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.954 HG23 HG12 ' A' ' 63' ' ' ILE . 4.9 mt -71.46 -27.22 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -88.77 7.09 35.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 51' ' ' MET . 1.7 mt-10 -95.83 -18.29 20.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.684 HG23 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -119.25 -40.43 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -71.43 98.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.15 -7.98 57.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.481 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -82.26 -31.27 30.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.97 32.93 58.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 49.8 p30 -74.22 -20.53 60.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 104.0 -25.91 24.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.446 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 1.2 t -112.33 -179.21 3.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 110.42 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.954 HG12 HG23 ' A' ' 52' ' ' ILE . 1.1 mm -123.18 139.06 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.623 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 58.9 m-20 -103.4 -169.27 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.718 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 19.7 t80 -76.86 -44.11 2.96 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.914 ' HA ' HD12 ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.0 -25.68 11.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.792 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.529 ' O ' ' CG2' ' A' ' 70' ' ' THR . 1.1 mm-40 -80.08 -22.6 42.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -92.87 -29.98 15.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.914 HD12 ' HA ' ' A' ' 66' ' ' PRO . 6.1 mt -52.83 -36.83 59.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.529 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -61.72 -37.36 83.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.363 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -37.54 75.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.65 -46.59 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.91 -42.39 48.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -42.79 -91.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -43.53 98.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.497 HG13 HD21 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -56.31 -48.28 79.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.43 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -42.83 -37.88 1.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.2 -39.43 71.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.604 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 4.2 m-85 -68.05 -33.32 74.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.575 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 6.9 mttt -38.76 -60.16 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -49.75 -42.31 46.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -52.65 -55.75 20.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.543 ' CE1' HD12 ' A' ' 27' ' ' ILE . 59.0 t80 -53.02 -35.34 59.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -58.21 -52.26 66.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -36.47 -56.89 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.57 ' CB ' HD13 ' A' ' 27' ' ' ILE . 50.4 m-85 -70.22 -44.42 68.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.498 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 21.4 t0 -83.15 87.82 6.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' A' ' 23' ' ' GLY . 10.9 tptt -62.26 -61.49 2.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.48 -24.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.461 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.63 17.49 34.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 11.2 p30 -61.81 -29.59 70.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 125.16 4.11 7.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 4.8 p -135.3 151.72 50.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 110.414 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.57 HD13 ' CB ' ' A' ' 19' ' ' PHE . 95.5 mt -118.42 99.38 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.529 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.2 t -72.23 -151.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.529 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.6 p -87.08 -55.25 3.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -53.49 -42.54 67.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.43 ' OE2' HG22 ' A' ' 28' ' ' THR . 46.8 mt-10 -68.23 -20.71 64.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.612 HD23 HD23 ' A' ' 48' ' ' LEU . 1.7 tp -88.26 -29.84 20.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.53 8.71 74.52 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.87 -61.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 0.0 110.421 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 2.1 t -47.77 -28.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.17 -45.05 86.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -62.89 -29.25 70.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 p -64.51 -18.99 65.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.957 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.81 -77.94 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.31 36.17 0.05 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.543 1.152 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -131.81 169.22 16.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 110.254 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 0.3 OUTLIER -167.12 73.39 1.04 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 146.41 32.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.6 p -71.18 163.43 27.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.18 -24.78 56.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.51 -45.39 72.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.32 -62.32 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.612 HD23 HD23 ' A' ' 32' ' ' LEU . 6.4 mt -41.88 -58.3 2.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -42.24 -42.52 3.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -38.89 82.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 48' ' ' LEU . 25.4 mtp -69.63 -47.25 64.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.793 HG23 HG12 ' A' ' 63' ' ' ILE . 5.7 mt -52.57 -52.67 24.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -46.04 -54.47 8.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -45.43 -38.12 5.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.97 HG12 HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -110.19 34.49 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -159.25 92.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.8 -7.14 55.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.482 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -82.15 -33.52 29.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.87 34.34 56.2 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.634 ' ND2' HG22 ' A' ' 62' ' ' THR . 50.7 p-10 -75.84 -21.76 56.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.447 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 105.92 -25.22 24.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.634 HG22 ' ND2' ' A' ' 60' ' ' ASN . 7.2 t -113.32 -177.68 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.793 HG12 HG23 ' A' ' 52' ' ' ILE . 1.2 mm -122.42 142.84 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.6 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 33.5 m-20 -112.32 -169.7 1.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.746 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 11.7 t80 -77.37 -44.78 2.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.746 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.99 -12.0 21.51 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.496 ' O ' ' CG2' ' A' ' 70' ' ' THR . 1.0 OUTLIER -96.47 -22.79 16.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -95.89 -30.25 13.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 66' ' ' PRO . 11.1 mt -47.64 -28.75 2.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.97 HG23 HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -70.54 -36.55 73.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.39 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -57.73 -49.94 74.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.559 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.1 mmt -59.8 -41.84 92.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.73 92.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.52 59.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -48.66 49.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.561 HG13 HD21 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -53.8 -45.45 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -41.71 -39.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.06 -44.45 84.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.657 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 54.8 m-85 -61.44 -34.44 75.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.521 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 56.4 mttm -39.5 -62.57 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -47.02 -38.71 11.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -58.12 -55.15 38.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.666 ' CE1' HD12 ' A' ' 27' ' ' ILE . 59.0 t80 -56.28 -35.43 67.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.6 t -59.7 -51.48 69.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.024 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -38.73 -50.87 1.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.473 ' CB ' HD13 ' A' ' 27' ' ' ILE . 23.3 m-85 -76.24 -42.76 44.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.17 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 23.7 t0 -84.59 87.2 7.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.417 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER -61.48 -61.39 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.24 -23.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.46 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.18 16.84 28.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 36.5 p-10 -60.61 -30.99 70.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.424 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 126.23 1.13 7.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 44.7 p -132.94 146.97 52.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.666 HD12 ' CE1' ' A' ' 16' ' ' PHE . 89.3 mt -114.25 109.07 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.4 t -82.8 -152.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.403 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.521 ' N ' ' OG1' ' A' ' 28' ' ' THR . 34.1 p -90.06 -44.65 9.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.433 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -66.47 -21.34 66.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.477 ' CG ' HG22 ' A' ' 28' ' ' THR . 49.1 mt-10 -93.09 -12.2 31.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.702 HD23 ' CD2' ' A' ' 48' ' ' LEU . 2.0 tp -93.19 -36.92 12.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.28 -10.72 81.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -69.81 -63.09 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 0.0 110.45 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.428 ' N ' HG22 ' A' ' 34' ' ' THR . 2.2 t -49.87 -27.66 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -43.56 75.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -65.58 -19.8 66.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 t -106.45 32.43 4.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 tt -146.44 -46.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.94 44.07 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -148.05 179.41 7.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.415 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 31.2 t-20 177.61 64.66 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.251 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HG2' HD21 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.02 137.54 21.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.9 p -59.97 157.71 12.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -52.08 -31.17 29.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.31 -45.01 77.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.7 -60.75 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.702 ' CD2' HD23 ' A' ' 32' ' ' LEU . 9.6 mt -45.98 -58.86 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -42.11 -44.06 3.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -38.71 92.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.507 ' N ' ' O ' ' A' ' 48' ' ' LEU . 45.8 mtp -70.15 -54.64 12.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.794 HG23 HG12 ' A' ' 63' ' ' ILE . 6.9 mt -45.2 -46.32 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -52.69 -38.31 60.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 51' ' ' MET . 13.0 mt-10 -60.85 -34.81 75.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.794 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -111.2 32.97 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.416 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 4.0 t70 -157.76 103.27 1.89 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.07 -8.87 29.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.462 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -78.69 -35.69 44.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.416 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 77.92 33.54 41.15 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.462 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 51.4 p-10 -77.44 -20.82 53.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 104.5 -28.99 12.71 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.4 p -108.37 -176.6 3.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 110.421 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.794 HG12 HG23 ' A' ' 52' ' ' ILE . 1.1 mm -124.75 142.55 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.604 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.9 OUTLIER -108.53 -167.38 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.716 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 15.1 t80 -79.54 -44.33 1.61 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.716 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.99 -14.41 21.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.624 ' O ' HG22 ' A' ' 70' ' ' THR . 16.7 mt-10 -94.3 -25.13 17.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 71' ' ' MET . 0.4 OUTLIER -92.72 -36.97 12.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.561 HD21 HG13 ' A' ' 9' ' ' ILE . 9.2 mt -39.74 -38.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.794 ' CG2' HG12 ' A' ' 55' ' ' VAL . 2.6 t -59.37 -49.82 76.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.448 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -42.97 -51.86 5.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -49.32 77.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.96 -44.81 64.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -48.36 -36.05 13.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.991 ' OXT' ' CG ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -44.83 71.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.566 HG13 HD21 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -55.52 -43.4 72.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -42.26 -36.71 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -69.52 -41.75 75.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.645 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 48.3 m-85 -63.8 -34.74 78.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 2.4 mtmp? -40.19 -60.94 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -48.53 -40.72 27.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.244 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -53.31 -55.69 22.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.582 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 60.9 t80 -53.75 -32.2 51.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -59.53 -51.7 68.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.952 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -37.76 -54.55 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.688 ' CB ' HD13 ' A' ' 27' ' ' ILE . 63.0 m-85 -73.82 -45.18 52.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.48 ' HB2' HG12 ' A' ' 27' ' ' ILE . 15.6 t0 -83.99 83.87 7.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.44 -23.46 61.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.422 ' OD1' ' CD ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -74.23 -26.55 60.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 63.98 10.33 39.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -62.71 -34.66 77.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.784 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.32 1.63 8.51 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.572 1.17 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 43.1 p -135.5 142.53 45.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.688 HD13 ' CB ' ' A' ' 19' ' ' PHE . 92.4 mt -109.01 109.57 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.916 HG22 ' CD ' ' A' ' 31' ' ' GLU . 5.6 t -80.18 -151.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.441 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.57 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.4 p -90.03 -47.95 7.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.418 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -62.85 -27.14 69.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.916 ' CD ' HG22 ' A' ' 28' ' ' THR . 38.9 mt-10 -85.18 -17.7 36.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.724 HD23 ' CD2' ' A' ' 48' ' ' LEU . 1.4 tp -89.32 -35.82 15.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.48 -10.49 81.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.34 -60.03 2.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 0.754 . . . . 0.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 t -54.27 -28.05 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -40.8 64.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -19.67 42.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 m -113.41 40.76 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -154.73 24.39 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.81 6.17 71.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.122 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -108.96 174.7 5.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.403 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 57.2 t-20 176.36 65.23 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.01 139.62 24.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.782 . . . . 0.0 111.028 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.2 p -64.41 164.39 11.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.433 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -58.38 -22.38 53.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.27 -46.13 51.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.4 -60.9 3.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.724 ' CD2' HD23 ' A' ' 32' ' ' LEU . 8.3 mt -43.4 -58.58 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -42.71 -43.85 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -36.98 84.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 48' ' ' LEU . 21.6 mtp -73.66 -49.22 27.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 111.034 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.441 ' HA ' HD11 ' A' ' 63' ' ' ILE . 1.4 mt -51.36 -38.12 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -62.3 -22.54 66.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 51' ' ' MET . 19.7 mt-10 -77.57 -26.07 50.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.84 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -119.35 31.72 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.408 ' OD1' ' ND2' ' A' ' 60' ' ' ASN . 14.6 t70 -158.4 110.48 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.16 -9.13 21.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.456 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -78.17 -38.47 43.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.81 33.22 34.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.123 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.549 ' N ' HD21 ' A' ' 60' ' ' ASN . 0.0 OUTLIER -78.39 -21.33 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.473 ' H ' HD21 ' A' ' 60' ' ' ASN . . . 107.2 -35.75 4.83 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.442 1.089 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.419 HG22 ' HA ' ' A' ' 28' ' ' THR . 10.5 p -101.02 178.38 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 0.736 . . . . 0.0 110.429 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.62 ' CD1' HG23 ' A' ' 55' ' ' VAL . 1.4 mm -121.65 139.63 48.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.62 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.2 m-20 -106.7 -171.13 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.702 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 9.9 t80 -75.11 -44.45 4.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.99 -11.02 21.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.627 ' O ' HG22 ' A' ' 70' ' ' THR . 13.5 mt-10 -99.0 -28.51 13.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.345 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.539 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -89.51 -36.5 15.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.566 HD21 HG13 ' A' ' 9' ' ' ILE . 9.3 mt -38.16 -45.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.84 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.9 t -50.65 -52.65 37.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.4 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.464 ' N ' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -41.88 -52.92 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.539 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.4 mmt -55.55 -52.41 63.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.06 -48.47 61.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.509 ' O ' ' NE ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -121.72 75.83 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -42.86 90.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.566 HD11 HD13 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -56.82 -42.66 78.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -44.23 -38.61 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.1 -37.02 83.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.574 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 9.7 m-85 -73.25 -32.88 64.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.578 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 5.8 mtmm -39.79 -58.69 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.5 -40.45 51.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -57.17 -53.84 53.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.605 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 56.0 t80 -58.64 -32.07 68.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 18' ' ' LEU . 22.8 m -62.62 -49.59 74.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -38.18 -51.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.653 ' CB ' HD13 ' A' ' 27' ' ' ILE . 49.9 m-85 -76.03 -47.14 25.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.29 102.01 4.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.94 35.08 3.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -114.03 -85.31 0.6 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.89 40.88 0.1 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.784 ' OD2' HG22 ' A' ' 26' ' ' THR . 2.1 p30 -124.16 -30.08 3.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.97 24.24 6.11 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.784 HG22 ' OD2' ' A' ' 24' ' ' ASP . 4.6 t -135.86 161.87 34.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.653 HD13 ' CB ' ' A' ' 19' ' ' PHE . 60.9 mt -129.05 102.83 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.679 ' O ' HD11 ' A' ' 52' ' ' ILE . 5.3 t -78.1 -150.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.572 ' N ' ' OG1' ' A' ' 28' ' ' THR . 5.5 p -85.47 -53.37 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -54.45 -58.97 5.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -49.55 -26.06 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.81 HD23 ' CD2' ' A' ' 48' ' ' LEU . 0.8 OUTLIER -82.81 -36.0 25.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 30' ' ' LYS . . . -85.52 7.87 74.44 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.596 1.185 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.43 -48.21 7.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 0.735 . . . . 0.0 110.402 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.59 -23.71 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -42.76 65.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -79.65 -2.67 43.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 t -99.42 13.6 32.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.07 -47.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.55 43.38 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -139.45 176.97 8.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.793 . . . . 0.0 110.27 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 176.41 68.43 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.069 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.4 28.92 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.0 p -60.98 154.81 21.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -52.92 -25.35 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.19 -45.35 70.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.41 -61.2 2.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.81 ' CD2' HD23 ' A' ' 32' ' ' LEU . 8.6 mt -45.96 -58.33 3.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -42.33 -44.46 3.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -38.97 93.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 48' ' ' LEU . 10.5 mtt -70.01 -52.25 25.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.878 HG23 HG12 ' A' ' 63' ' ' ILE . 7.0 mt -54.25 -28.38 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -75.44 -3.87 36.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 51' ' ' MET . 17.4 mt-10 -94.49 -29.37 14.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.825 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -115.7 34.73 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -155.07 89.45 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.37 -9.02 59.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.486 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -79.72 -35.83 38.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.17 35.35 53.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.461 1.101 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.486 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 35.0 p-10 -78.56 -21.96 47.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.59 -27.67 14.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.82 171.26 7.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.878 HG12 HG23 ' A' ' 52' ' ' ILE . 1.5 mm -116.0 142.81 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.582 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 48.8 m-20 -111.75 -168.11 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.7 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 7.5 t80 -79.29 -44.99 1.69 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.7 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.95 -13.68 21.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.607 ' O ' HG22 ' A' ' 70' ' ' THR . 1.2 mm-40 -94.28 -27.15 16.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -92.09 -38.35 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 111.022 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.566 HD13 HD11 ' A' ' 9' ' ' ILE . 9.8 mt -38.47 -41.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.825 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.7 t -54.0 -52.5 60.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.469 ' N ' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -39.9 -49.22 2.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.98 -48.88 76.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.14 -44.27 83.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.88 63.03 0.65 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.76 -36.83 62.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -59.43 -48.7 86.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -38.71 -37.34 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -69.04 -51.48 38.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.61 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 29.8 m-85 -47.01 -31.93 3.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.052 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' PHE . 71.3 mttt -40.36 -58.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -51.88 -42.25 62.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -49.83 -57.4 7.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.672 ' CE1' HD12 ' A' ' 27' ' ' ILE . 60.5 t80 -51.96 -36.69 50.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.8 t -57.91 -51.88 67.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -36.8 -51.73 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.252 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.447 ' CB ' HD13 ' A' ' 27' ' ' ILE . 58.6 m-85 -75.25 -45.58 39.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.48 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 32.4 t0 -80.62 88.63 5.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -59.91 -62.67 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -49.12 -23.07 1.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.122 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.459 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 56.68 18.76 25.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 7.5 p30 -61.23 -28.73 69.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 124.14 4.11 7.9 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 44.2 p -136.96 147.02 46.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.798 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.672 HD12 ' CE1' ' A' ' 16' ' ' PHE . 87.2 mt -114.63 115.8 50.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.665 ' O ' HD11 ' A' ' 52' ' ' ILE . 7.3 t -88.37 -152.32 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.539 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.8 p -81.4 -55.41 4.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 32' ' ' LEU . 2.5 tttt -55.68 -60.82 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -45.92 -25.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.811 HD23 ' CD2' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -84.04 -48.44 9.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.408 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -70.35 -4.66 51.94 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.505 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -76.87 -66.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.407 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.505 ' N ' HG22 ' A' ' 34' ' ' THR . 2.4 t -49.95 -27.81 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -43.89 95.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.436 ' NH2' ' OD1' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -57.22 -17.89 13.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.2 -6.11 59.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.016 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.55 17.03 14.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.8 16.53 74.49 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -101.03 -179.21 3.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.436 ' OD1' ' NH2' ' A' ' 37' ' ' ARG . 15.5 t30 170.47 68.75 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 127.41 10.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.451 1.764 . . . . 0.0 110.963 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.8 p -44.64 161.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.427 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -58.94 -28.78 66.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.11 -44.5 79.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -59.99 -62.01 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.811 ' CD2' HD23 ' A' ' 32' ' ' LEU . 7.1 mt -43.74 -58.08 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -38.85 -44.1 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.15 -45.69 83.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.8 mtt -60.98 -42.66 98.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.968 HG23 HG12 ' A' ' 63' ' ' ILE . 5.6 mt -66.35 -29.05 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -90.69 7.51 39.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 51' ' ' MET . 1.2 mt-10 -98.08 -17.4 19.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.644 HG23 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -119.52 -40.19 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -72.9 106.77 4.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.02 -6.16 51.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.457 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -83.39 -33.59 25.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.48 33.7 55.66 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.457 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 48.7 p-10 -74.66 -22.74 58.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 109.14 -29.9 9.18 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 p -108.98 -177.43 3.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 0.737 . . . . 0.0 110.432 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.968 HG12 HG23 ' A' ' 52' ' ' ILE . 1.1 mm -123.82 141.13 45.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.625 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 15.8 m-20 -106.43 -169.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.708 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 16.9 t80 -78.33 -43.76 2.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.826 ' HA ' HD12 ' A' ' 69' ' ' LEU . 18.0 Cg_endo -75.07 -20.4 16.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.467 1.772 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.523 ' O ' HG22 ' A' ' 70' ' ' THR . 19.3 mt-10 -87.59 -22.54 24.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.578 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -92.77 -31.4 15.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.826 HD12 ' HA ' ' A' ' 66' ' ' PRO . 8.0 mt -47.8 -35.07 9.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -65.07 -36.66 85.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.424 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -59.07 -41.97 89.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.578 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.1 mmt -67.76 -40.75 84.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.82 -44.9 88.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.62 59.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -48.62 55.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -54.48 -46.95 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . -39.12 -38.03 0.44 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.158 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -67.83 -47.53 68.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.708 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 45.2 m-85 -56.33 -31.83 64.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' PHE . 31.4 mttt -39.26 -65.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.097 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -45.29 -38.71 5.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -56.61 -55.73 30.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.553 ' CE1' HD12 ' A' ' 27' ' ' ILE . 79.9 t80 -57.86 -36.74 72.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 18' ' ' LEU . 8.5 t -56.38 -52.13 65.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -37.43 -53.13 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CB ' HD13 ' A' ' 27' ' ' ILE . 51.9 m-85 -72.63 -46.86 51.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 17.4 t0 -80.81 92.37 6.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -67.28 -58.08 5.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -49.18 -23.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 59.51 15.58 32.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 36.8 p-10 -61.29 -32.01 71.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.41 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 127.29 -0.09 6.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 81.8 p -130.01 152.07 49.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.568 HD13 ' CB ' ' A' ' 19' ' ' PHE . 94.3 mt -119.45 102.88 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.535 ' OG1' ' N ' ' A' ' 29' ' ' THR . 7.4 t -76.61 -152.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.535 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.2 p -88.14 -45.35 10.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -40.89 97.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -71.76 -17.97 62.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.872 HD23 ' CD2' ' A' ' 48' ' ' LEU . 1.1 tp -91.39 -29.91 16.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.07 6.94 81.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -93.93 -64.17 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.78 . . . . 0.0 110.404 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.472 ' N ' HG22 ' A' ' 34' ' ' THR . 2.1 t -46.3 -25.85 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -69.71 -42.16 74.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' THR . 71.3 mtm180 -53.42 -21.66 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.247 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 m -109.79 30.14 6.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.62 20.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.09 20.77 75.12 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -120.71 173.63 7.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 0.737 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 175.55 66.53 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.07 33.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.5 p -70.5 161.14 31.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.425 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.445 ' HA ' HD12 ' A' ' 48' ' ' LEU . 1.2 mt-10 -54.54 -25.85 28.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.08 -48.84 56.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.24 -58.34 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.872 ' CD2' HD23 ' A' ' 32' ' ' LEU . 7.6 mt -45.23 -59.75 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -39.65 -49.17 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.48 -41.57 98.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' LEU . 9.1 mtp -66.86 -56.93 8.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.431 HG23 HG12 ' A' ' 63' ' ' ILE . 1.3 mt -44.55 -46.56 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -49.81 -37.87 32.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 51' ' ' MET . 15.3 mt-10 -59.54 -35.05 73.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.822 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -113.11 32.28 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.251 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.28 100.47 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.23 -12.04 26.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.483 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -76.64 -40.83 47.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.06 32.42 26.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.483 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 35.1 p-10 -80.37 -18.34 49.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.779 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.65 -29.13 12.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.41 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 1.4 m -103.08 168.07 9.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 110.404 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.631 HD11 HG23 ' A' ' 55' ' ' VAL . 1.5 mm -114.46 141.73 29.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.623 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 25.8 m-20 -114.04 -173.02 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.685 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 7.9 t80 -72.94 -44.79 8.51 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.98 -9.55 20.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.66 ' O ' HG22 ' A' ' 70' ' ' THR . 1.2 mm-40 -99.12 -29.22 12.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.541 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -91.76 -35.65 14.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.477 HD21 HG13 ' A' ' 9' ' ' ILE . 12.4 mt -40.46 -38.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.822 ' CG2' HG12 ' A' ' 55' ' ' VAL . 2.1 t -58.97 -47.22 85.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -45.34 -58.96 2.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.541 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.1 mmt -55.05 -38.63 68.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.26 -45.54 76.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.68 57.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -54.17 39.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.483 HG13 HD21 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -48.11 -48.88 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.452 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -38.63 -37.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -67.92 -53.14 28.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.668 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 8.1 m-85 -49.02 -28.65 4.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 1.3 mttm -39.77 -60.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -49.61 -40.15 38.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -52.16 -56.06 16.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.597 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 63.7 t80 -53.56 -32.93 52.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.7 m -57.52 -51.36 69.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -38.05 -58.95 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.677 ' CB ' HD13 ' A' ' 27' ' ' ILE . 66.0 m-85 -67.58 -46.25 73.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.429 ' HB2' HG12 ' A' ' 27' ' ' ILE . 5.5 t0 -79.63 94.59 5.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -88.58 9.43 24.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -105.94 -18.14 14.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.18 15.22 13.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 111.067 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 35.1 p-10 -74.53 -37.57 63.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.774 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 125.51 2.59 7.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.554 1.159 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.456 ' HB ' ' CG2' ' A' ' 62' ' ' THR . 19.5 p -132.3 146.01 51.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 110.374 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.677 HD13 ' CB ' ' A' ' 19' ' ' PHE . 90.0 mt -114.91 102.42 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 29' ' ' THR . 9.7 t -76.0 -152.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.504 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.5 p -86.74 -45.66 10.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.373 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -59.81 -48.33 82.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -62.61 -26.09 68.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.81 HD23 ' CD2' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -83.72 -37.99 21.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.49 7.08 58.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.727 HG23 HH21 ' A' ' 37' ' ' ARG . 0.7 OUTLIER -92.28 -69.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.403 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.666 ' N ' HG22 ' A' ' 34' ' ' THR . 2.6 t -46.39 -25.5 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' GLN . 0.9 OUTLIER -59.16 -43.99 92.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.727 HH21 HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -76.73 -0.51 23.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 m -94.99 -14.63 24.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.8 -31.49 6.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.11 43.61 0.18 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' MET . 21.4 mt-30 -133.81 175.15 9.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.427 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 11.0 t-20 176.88 64.02 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.01 159.31 41.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.9 p -73.09 173.36 9.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -71.95 -16.75 62.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.93 -45.8 23.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.91 -60.49 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.81 ' CD2' HD23 ' A' ' 32' ' ' LEU . 8.3 mt -42.51 -59.04 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -42.45 -42.44 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -39.1 84.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' LEU . 6.4 mtt -69.37 -56.62 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.779 HG23 HG12 ' A' ' 63' ' ' ILE . 5.8 mt -44.68 -46.52 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -50.76 -41.96 57.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 51' ' ' MET . 12.0 mt-10 -57.01 -34.48 68.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.84 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -111.49 30.11 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -154.05 102.25 2.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.92 -11.27 26.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.464 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -76.89 -40.07 48.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.42 32.5 25.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.464 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 31.2 p-10 -81.06 -17.81 48.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.4 -29.45 11.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.456 ' CG2' ' HB ' ' A' ' 26' ' ' THR . 1.5 m -101.81 168.23 9.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.779 HG12 HG23 ' A' ' 52' ' ' ILE . 1.2 mm -115.34 131.73 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.651 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 27.0 m-20 -103.55 178.79 4.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.747 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 24.3 t80 -66.15 -44.45 59.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.747 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -75.08 -9.84 20.83 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.452 1.764 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.618 ' O ' HG22 ' A' ' 70' ' ' THR . 1.3 mm-40 -99.95 -28.94 12.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -89.89 -32.8 16.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.483 HD21 HG13 ' A' ' 9' ' ' ILE . 9.9 mt -41.62 -44.59 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.84 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.7 t -52.54 -46.97 66.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -47.02 -53.45 12.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.499 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.8 mmt -53.81 -50.87 65.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.75 -50.93 9.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 74' ' ' ARG . 24.8 mtm105 -92.09 48.63 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.8 -46.26 38.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.604 HD11 HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -55.81 -39.57 56.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.36 -40.23 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -66.39 -42.01 88.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.674 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 56.3 m-85 -64.99 -34.46 78.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.534 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 14.8 mttt -40.67 -64.14 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -45.11 -38.92 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -58.22 -55.89 29.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.634 ' CD1' ' CD1' ' A' ' 27' ' ' ILE . 48.3 t80 -57.74 -31.68 66.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER -61.92 -49.02 77.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 109.99 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.5 -66.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.555 ' CB ' HD13 ' A' ' 27' ' ' ILE . 35.1 m-85 -56.37 -47.53 78.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.499 ' CG ' ' N ' ' A' ' 21' ' ' LYS . 1.8 t70 -68.78 169.4 11.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.499 ' N ' ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -178.28 37.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -137.09 10.64 3.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 37.49 29.05 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 22' ' ' ASP . 5.4 p-10 -98.89 -33.55 10.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.24 21.74 7.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -133.77 160.67 36.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 110.383 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.634 ' CD1' ' CD1' ' A' ' 16' ' ' PHE . 67.8 mt -129.83 86.91 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.628 HG22 ' OE2' ' A' ' 31' ' ' GLU . 8.8 t -63.83 -154.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.408 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.52 ' N ' ' OG1' ' A' ' 28' ' ' THR . 3.4 p -89.29 -57.49 2.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.23 -33.47 5.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.628 ' OE2' HG22 ' A' ' 28' ' ' THR . 33.5 mt-10 -76.98 -34.74 57.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.815 ' HB3' HD22 ' A' ' 48' ' ' LEU . 2.1 tp -72.05 -27.32 62.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.02 -2.31 64.55 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.82 -61.31 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.435 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 2.2 t -49.67 -27.79 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -44.14 85.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -55.49 -20.74 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 t -82.7 -7.2 59.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.52 9.6 15.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.47 23.58 67.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -109.61 179.91 4.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.4 OUTLIER 176.58 72.21 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 139.91 24.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.773 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.6 p -59.23 161.19 5.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.346 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.84 -21.56 61.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.13 -45.21 61.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.79 -60.08 4.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.815 HD22 ' HB3' ' A' ' 32' ' ' LEU . 7.8 mt -45.99 -59.21 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -40.68 -44.94 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.39 -42.51 96.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.8 mtt -66.4 -58.15 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.825 HG23 HG12 ' A' ' 63' ' ' ILE . 6.3 mt -43.65 -48.11 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -48.62 -45.85 38.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -53.06 -36.0 60.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.803 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -111.16 33.38 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -156.33 97.74 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.51 -11.08 32.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.474 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -77.92 -36.75 49.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.48 33.47 38.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.441 1.088 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.474 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 46.6 p-10 -78.71 -20.98 48.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 0.718 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 103.12 -28.26 16.52 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.424 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 10.3 p -106.55 170.29 8.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.825 HG12 HG23 ' A' ' 52' ' ' ILE . 1.1 mm -114.76 138.39 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.606 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 7.0 m-20 -106.5 -169.53 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.693 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 10.7 t80 -79.06 -44.2 1.74 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.693 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.5 Cg_endo -74.98 -13.91 21.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.459 1.768 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.609 ' O ' HG22 ' A' ' 70' ' ' THR . 16.4 mt-10 -94.76 -24.9 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.0 OUTLIER -93.46 -35.57 12.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.604 HD13 HD11 ' A' ' 9' ' ' ILE . 10.8 mt -41.7 -38.59 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.803 ' CG2' HG12 ' A' ' 55' ' ' VAL . 2.1 t -58.44 -45.37 88.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -46.49 -50.69 16.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 111.048 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.47 -43.54 98.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.36 -44.83 62.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 75' ' ' LYS . 4.3 mtp85 -97.66 48.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 74' ' ' ARG . 7.9 mtpt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -46.18 55.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.546 HG13 HD21 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -55.75 -42.26 69.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -45.08 -38.63 5.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -66.41 -37.67 85.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.521 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 10.8 m-85 -72.86 -34.81 67.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 3.1 mtmm -37.91 -55.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -54.52 -44.33 72.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -49.82 -55.71 13.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.618 ' CE1' HD12 ' A' ' 27' ' ' ILE . 67.3 t80 -52.39 -32.82 40.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.5 t -60.24 -52.65 64.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -38.11 -58.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.498 ' CB ' HD13 ' A' ' 27' ' ' ILE . 38.4 m-85 -66.48 -42.87 86.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -79.17 91.76 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.92 21.9 8.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -118.89 -6.99 10.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.48 73.12 0.22 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 32.0 p-10 -137.53 -43.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 136.94 -7.13 3.8 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 11.4 p -121.79 165.94 15.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.414 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.618 HD12 ' CE1' ' A' ' 16' ' ' PHE . 90.0 mt -132.3 94.94 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.5 ' OG1' ' N ' ' A' ' 29' ' ' THR . 9.9 t -71.12 -154.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.5 ' N ' ' OG1' ' A' ' 28' ' ' THR . 12.5 p -87.04 -51.1 6.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.381 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.51 -36.43 66.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -76.57 -22.28 54.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.624 HD22 HG13 ' A' ' 52' ' ' ILE . 4.1 tp -83.19 -28.49 29.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 36' ' ' MET . . . -87.08 -38.05 8.06 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.539 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.7 OUTLIER -42.09 -63.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.777 . . . . 0.0 110.38 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.539 ' N ' HG22 ' A' ' 34' ' ' THR . 2.4 t -46.97 -40.7 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -67.41 -40.55 85.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.983 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.546 ' HD3' HD22 ' A' ' 42' ' ' ASN . 2.3 mmt180 -46.86 -33.82 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -112.66 42.32 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -147.68 35.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 57.34 16.83 22.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.493 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 31.3 mt-30 -120.16 175.65 5.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 110.338 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.546 HD22 ' HD3' ' A' ' 37' ' ' ARG . 0.5 OUTLIER 177.99 64.68 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.4 Cg_endo -74.95 125.89 9.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.7 p -50.95 175.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.374 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.77 -14.93 62.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.72 -45.5 15.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.97 -58.48 8.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.547 HD22 ' HB3' ' A' ' 32' ' ' LEU . 9.2 mt -44.26 -59.11 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -41.42 -46.05 3.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -42.13 98.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 48' ' ' LEU . 8.4 mtt -65.02 -49.32 70.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.624 HG13 HD22 ' A' ' 32' ' ' LEU . 1.7 mt -61.04 -25.79 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -82.36 6.97 15.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 51' ' ' MET . 3.7 mt-10 -104.77 -21.27 13.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.902 HG12 HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -111.72 -44.27 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 21.2 t70 -75.71 105.51 6.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.27 -13.93 27.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.464 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -75.43 -36.22 60.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.89 32.27 33.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.1 . . . . 0.0 110.98 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.464 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 30.4 p-10 -79.48 -19.87 48.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.18 -37.25 3.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.123 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 m -97.5 165.72 11.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 110.415 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.589 HD11 HG23 ' A' ' 55' ' ' VAL . 1.8 mm -114.83 137.47 48.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.641 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.2 m-20 -110.17 -169.38 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.663 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 5.4 t80 -74.28 -44.07 5.93 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.663 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.94 -11.27 21.58 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' A' ' 64' ' ' ASP . 11.6 mt-10 -99.6 -21.2 15.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.54 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -98.39 -32.56 11.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.546 HD21 HG13 ' A' ' 9' ' ' ILE . 13.8 mt -46.49 -29.93 1.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.902 HG23 HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -68.4 -39.18 81.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.377 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -55.96 -41.22 74.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.54 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.3 mmt -70.49 -41.29 72.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.73 91.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.57 63.39 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.03 -48.58 20.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.646 HD11 HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -54.23 -44.09 63.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.21 -38.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.58 -43.8 79.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.641 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 58.6 m-85 -62.28 -33.69 75.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 19.4 mttm -39.93 -62.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -47.1 -39.33 13.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -58.25 -56.87 16.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.601 ' CD1' ' CD1' ' A' ' 27' ' ' ILE . 28.7 t80 -50.69 -32.25 18.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.8 t -62.45 -53.49 54.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.948 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.504 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -35.85 -47.13 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.6 ' CB ' HD13 ' A' ' 27' ' ' ILE . 50.5 m-85 -83.58 -49.22 9.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.411 ' HB2' HG12 ' A' ' 27' ' ' ILE . 1.7 t70 -73.37 110.99 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.42 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -145.11 61.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -146.98 -47.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.435 ' N ' ' CG ' ' A' ' 22' ' ' ASP . . . 110.4 92.89 2.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.418 ' H ' ' H ' ' A' ' 25' ' ' GLY . 17.0 p30 167.34 24.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.749 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.418 ' H ' ' H ' ' A' ' 24' ' ' ASP . . . 40.48 39.04 1.6 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.511 HG23 ' OG1' ' A' ' 62' ' ' THR . 0.5 OUTLIER -143.34 156.81 44.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.384 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.601 ' CD1' ' CD1' ' A' ' 16' ' ' PHE . 77.8 mt -122.88 80.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' A' ' 29' ' ' THR . 9.8 t -58.73 -153.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.449 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.498 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.1 p -84.8 -61.92 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.43 -54.22 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.42 ' OE2' ' N ' ' A' ' 21' ' ' LYS . 49.1 mt-10 -56.71 -42.87 79.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.639 HD23 ' CD2' ' A' ' 48' ' ' LEU . 1.1 tp -65.91 -24.02 66.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.94 18.34 55.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.3 -44.5 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.754 . . . . 0.0 110.397 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 2.2 t -67.61 -25.92 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.25 -42.46 68.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 111.046 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -78.33 -2.42 38.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t -97.78 10.16 40.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.95 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.81 -72.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.28 34.64 0.08 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -132.35 -179.03 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 0.741 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 176.04 71.41 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 155.77 43.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.2 p -78.88 154.74 29.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.38 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.34 -22.84 1.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.352 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.14 -45.01 51.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.365 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.36 -59.9 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.639 ' CD2' HD23 ' A' ' 32' ' ' LEU . 6.2 mt -43.03 -57.91 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -43.02 -42.92 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -37.21 81.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 48' ' ' LEU . 7.5 mtp -72.49 -52.51 15.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.509 HG13 HD22 ' A' ' 32' ' ' LEU . 1.7 mt -46.83 -45.64 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -51.43 -32.62 27.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 51' ' ' MET . 29.2 mt-10 -63.15 -33.3 75.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.863 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -117.16 33.15 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.252 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.16 100.81 2.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.5 -9.1 30.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.504 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -79.32 -36.93 38.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.24 34.87 39.72 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.504 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 52.9 p-10 -79.85 -20.42 46.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.492 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 104.48 -28.56 14.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.511 ' OG1' HG23 ' A' ' 26' ' ' THR . 6.1 t -108.34 172.29 6.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 110.397 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.675 ' CD1' HG23 ' A' ' 55' ' ' VAL . 1.5 mm -114.98 145.32 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.596 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 2.2 m-20 -114.19 -169.98 1.63 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.723 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 12.4 t80 -77.44 -44.81 2.62 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.723 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.03 -13.19 21.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.801 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.625 ' O ' HG22 ' A' ' 70' ' ' THR . 1.1 mm-40 -94.37 -27.72 15.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -90.72 -36.87 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.97 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.646 HD13 HD11 ' A' ' 9' ' ' ILE . 8.9 mt -39.42 -43.88 1.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.863 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.3 t -51.84 -50.99 59.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.403 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -42.71 -56.7 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.473 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.4 mmt -54.77 -41.93 71.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 70' ' ' THR . . . -47.13 -44.33 21.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -104.71 60.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.4 mm-40 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -53.46 54.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -48.01 -48.19 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.44 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -40.28 -38.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -72.19 -46.31 56.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.567 ' CD2' HD23 ' A' ' 69' ' ' LEU . 20.8 m-85 -52.36 -30.48 29.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' PHE . 7.7 mttm -40.31 -55.34 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -54.0 -42.68 69.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -51.28 -54.59 24.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.689 ' CE1' ' CD1' ' A' ' 27' ' ' ILE . 47.4 t80 -51.78 -33.64 36.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.3 m -61.63 -52.12 65.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.986 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -36.11 -57.11 0.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.692 ' CE1' HG11 ' A' ' 35' ' ' VAL . 4.0 m-30 -67.87 -45.56 74.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.402 ' HB2' HG12 ' A' ' 27' ' ' ILE . 2.2 t70 -73.47 85.93 1.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.73 19.93 4.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -116.28 -10.53 11.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 44.58 74.76 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -139.62 -43.91 0.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 0.779 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.49 -8.98 3.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 7.0 p -120.64 169.74 10.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 0.717 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.689 ' CD1' ' CE1' ' A' ' 16' ' ' PHE . 71.3 mt -135.62 107.86 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.668 ' O ' HD11 ' A' ' 52' ' ' ILE . 4.8 t -80.92 -149.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.583 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.1 p -90.85 -52.8 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -56.78 -31.65 64.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.42 ' H ' HG23 ' A' ' 28' ' ' THR . 57.4 mt-10 -80.61 -17.16 52.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.71 HD23 HD23 ' A' ' 48' ' ' LEU . 1.1 tp -91.38 -30.56 16.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.07 1.62 70.67 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.23 -34.33 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.692 HG11 ' CE1' ' A' ' 19' ' ' PHE . 2.5 t -83.78 -25.16 7.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -35.48 69.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.74 13.26 7.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.97 -37.08 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.35 -76.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.14 30.7 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.465 1.103 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -127.88 -176.68 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.431 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 33.2 t30 177.1 63.79 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.02 139.8 24.66 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.42 ' H ' HG23 ' A' ' 44' ' ' THR . 35.8 p -58.12 178.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.14 -20.32 60.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.83 -46.32 25.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -56.78 -57.48 12.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.238 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.71 HD23 HD23 ' A' ' 32' ' ' LEU . 7.6 mt -46.72 -60.65 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' LEU . 15.6 tp60 -37.44 -40.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.462 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 0.3 OUTLIER -71.81 -51.12 24.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.458 ' O ' HG22 ' A' ' 55' ' ' VAL . 22.2 mtt -52.16 -33.85 42.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.822 HG23 HG12 ' A' ' 63' ' ' ILE . 2.4 mt -70.67 -51.17 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.544 ' OD1' ' C ' ' A' ' 53' ' ' ASN . 21.1 p30 -76.31 -0.16 21.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 1.2 mm-40 -84.46 -19.1 33.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.622 HG23 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -118.73 -43.72 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 109.346 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -66.12 122.41 17.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.11 -6.88 17.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.491 ' OD2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -81.33 -36.49 29.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.91 30.92 45.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.491 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 43.2 p-10 -72.96 -22.37 60.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.31 -26.88 18.87 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.8 p -110.76 178.45 4.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 0.749 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.822 HG12 HG23 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -119.98 137.86 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.613 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 5.3 m-20 -101.91 -169.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.693 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 13.4 t80 -78.13 -44.06 2.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 1.009 ' HA ' HD12 ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.03 -25.67 11.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.441 1.758 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.521 ' O ' ' CG2' ' A' ' 70' ' ' THR . 26.8 mt-10 -81.84 -21.59 37.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -91.79 -34.38 14.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.009 HD12 ' HA ' ' A' ' 66' ' ' PRO . 4.9 mt -43.37 -44.03 5.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -52.8 -46.47 67.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.424 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -44.5 48.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -42.33 95.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.1 -47.06 81.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -108.38 60.04 0.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -73.31 -45.7 53.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.53 HD11 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -56.66 -47.47 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.427 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -39.94 -39.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -69.46 -46.39 66.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.735 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 7.5 m-85 -56.48 -30.06 62.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 111.047 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.438 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 15.8 mttp -39.7 -64.07 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -46.17 -38.66 8.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -52.48 -55.43 22.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.54 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 66.4 t80 -53.47 -36.37 61.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.4 t -57.16 -52.24 66.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.961 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -36.89 -45.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.62 ' CB ' HD13 ' A' ' 27' ' ' ILE . 43.0 m-85 -83.8 -45.64 13.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.497 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 19.2 t0 -83.18 87.88 6.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -58.62 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.41 ' OD2' ' CD ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -49.29 -23.29 1.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 59.87 15.45 35.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 41.8 p-10 -59.35 -33.94 71.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.776 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.458 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 128.04 -0.59 6.63 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 47.3 p -132.23 146.33 51.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 110.387 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.62 HD13 ' CB ' ' A' ' 19' ' ' PHE . 87.4 mt -113.19 101.96 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.65 HG22 ' HG3' ' A' ' 31' ' ' GLU . 6.5 t -74.97 -152.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.362 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.549 ' N ' ' OG1' ' A' ' 28' ' ' THR . 25.1 p -89.3 -49.63 6.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.398 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -30.9 65.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.65 ' HG3' HG22 ' A' ' 28' ' ' THR . 1.4 mm-40 -80.43 -25.17 39.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.837 ' HB3' HD22 ' A' ' 48' ' ' LEU . 2.6 tp -80.97 -20.1 42.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.16 23.13 32.86 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.428 ' HA ' ' NE ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -111.41 -30.89 7.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 110.355 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 2.3 t -82.95 -25.72 8.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -42.93 65.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 34' ' ' THR . 6.1 ptp180 -58.42 -17.07 17.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 m -92.4 6.27 47.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.988 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.8 1.98 8.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.94 28.03 22.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.67 -178.94 3.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 110.362 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.8 t30 175.69 72.17 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 138.44 22.98 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.8 p -60.51 156.53 16.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.385 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -52.86 -28.39 22.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.84 -44.7 80.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -58.77 -61.77 2.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.837 HD22 ' HB3' ' A' ' 32' ' ' LEU . 8.8 mt -45.03 -59.27 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -41.46 -42.43 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.281 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -40.73 82.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' LEU . 10.1 mtp -67.28 -58.46 4.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.782 HG23 HG12 ' A' ' 63' ' ' ILE . 5.9 mt -43.25 -47.45 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -50.66 -41.9 55.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' MET . 11.9 mt-10 -58.08 -30.82 66.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.975 HG12 HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -115.11 32.55 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.35 104.48 2.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.41 -14.35 22.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.483 ' OD2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -73.11 -44.08 60.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.32 30.19 17.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.483 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 50.3 p-10 -81.07 -17.99 48.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.466 ' O ' HG21 ' A' ' 52' ' ' ILE . . . 97.7 -30.72 8.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.413 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 2.6 p -98.41 167.61 10.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.782 HG12 HG23 ' A' ' 52' ' ' ILE . 1.1 mm -116.09 130.89 70.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.634 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.6 m-20 -102.11 -174.59 2.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.72 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 7.9 t80 -68.5 -45.16 36.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -74.99 -9.23 20.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.582 ' O ' HG22 ' A' ' 70' ' ' THR . 1.5 mm-40 -99.89 -27.54 13.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.581 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -93.18 -31.33 14.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.53 HD22 HD11 ' A' ' 9' ' ' ILE . 12.8 mt -46.46 -31.23 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.975 HG23 HG12 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -69.57 -37.42 76.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -54.88 -59.45 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.581 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -52.54 -39.65 61.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.02 -55.75 29.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -117.93 71.37 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 1.016 ' OXT' ' CG ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.45 -43.33 99.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.585 HD11 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -55.81 -47.93 78.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.431 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -42.38 -36.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -70.44 -43.02 70.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.624 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 4.0 m-85 -61.86 -32.17 72.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.551 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 72.8 mttt -38.25 -59.18 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -51.04 -42.34 60.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -49.42 -53.33 23.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.522 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 77.0 t80 -53.05 -36.91 61.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -54.55 -52.57 61.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.982 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.469 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -35.79 -51.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.59 ' CB ' HD13 ' A' ' 27' ' ' ILE . 67.8 m-85 -76.53 -42.84 41.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.51 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 24.8 t0 -86.66 93.12 9.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -60.16 3.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -49.47 -24.23 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 61.68 16.95 52.87 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 35.7 p-10 -60.75 -33.67 73.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 130.23 -11.79 5.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.408 HG22 ' OD1' ' A' ' 64' ' ' ASP . 67.9 p -121.08 146.55 46.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.59 HD13 ' CB ' ' A' ' 19' ' ' PHE . 78.5 mt -113.86 105.92 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.516 ' OG1' ' N ' ' A' ' 29' ' ' THR . 9.3 t -76.77 -152.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.358 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.516 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.9 p -83.06 -57.69 3.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 34' ' ' THR . 3.5 tttt -51.72 -55.7 18.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -53.92 -20.68 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.786 HD23 ' CD2' ' A' ' 48' ' ' LEU . 1.7 tp -88.02 -42.99 12.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.7 -10.83 85.98 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.524 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -71.64 -67.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 110.431 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.524 ' N ' HG22 ' A' ' 34' ' ' THR . 2.1 t -45.26 -31.63 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -44.92 89.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -69.21 -26.48 64.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.3 p -88.0 3.51 48.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.26 -78.52 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.39 34.97 0.08 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -137.21 -175.66 4.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 t30 176.99 65.54 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.553 ' HG2' HD21 ' A' ' 48' ' ' LEU . 18.1 Cg_endo -75.08 144.0 29.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.456 1.767 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.5 p -70.78 162.6 28.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -55.84 -19.2 10.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.86 -45.93 19.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.45 -61.44 2.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.786 ' CD2' HD23 ' A' ' 32' ' ' LEU . 9.4 mt -41.72 -57.82 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 48' ' ' LEU . 2.9 tp60 -38.06 -43.85 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.38 -44.2 68.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 48' ' ' LEU . 13.0 mtt -61.72 -38.54 88.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.572 HG23 HG12 ' A' ' 63' ' ' ILE . 1.8 mt -65.44 -50.74 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -62.83 -40.31 97.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -40.7 -34.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.53 HG23 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -111.91 -49.27 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 1.6 t70 -62.56 95.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.41 -8.55 50.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.469 ' OD2' ' CB ' ' A' ' 60' ' ' ASN . 4.8 p-10 -77.87 -26.89 49.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 53.95 38.24 59.84 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.445 1.09 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.469 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 2.8 p-10 -102.63 -5.01 24.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 0.799 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.71 ' C ' HG23 ' A' ' 62' ' ' THR . . . 97.55 143.4 14.84 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.71 HG23 ' C ' ' A' ' 61' ' ' GLY . 1.0 OUTLIER 65.66 172.56 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 110.421 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.572 HG12 HG23 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -123.71 135.17 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.642 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 12.7 m-20 -103.39 -173.34 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.701 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 5.8 t80 -66.4 -45.01 58.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.96 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.701 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.96 -9.07 20.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.492 ' HB2' HG23 ' A' ' 63' ' ' ILE . 3.0 mm-40 -100.84 -27.45 13.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.574 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -93.66 -30.05 15.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.585 HD22 HD11 ' A' ' 9' ' ' ILE . 11.0 mt -46.0 -32.8 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -69.63 -38.29 77.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -52.81 -53.17 52.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.574 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -57.98 -43.99 86.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.51 -46.75 70.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -111.87 62.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.449 ' OE1' ' CA ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -76.23 -50.47 14.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.645 HD11 HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -54.06 -43.34 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -42.63 -39.95 2.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -65.56 -41.17 93.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.557 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 49.4 m-85 -66.53 -35.9 81.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.575 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 13.3 mttt -39.4 -58.38 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -50.83 -41.62 57.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -55.91 -54.99 38.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.579 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 41.1 t80 -53.72 -31.53 48.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -61.33 -50.85 71.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -39.48 -61.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.689 ' CB ' HD13 ' A' ' 27' ' ' ILE . 49.6 m-85 -64.73 -45.81 84.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 3.7 t70 -76.87 84.33 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.96 22.52 5.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -115.73 -13.88 11.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.02 79.81 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.568 ' OD2' HG22 ' A' ' 26' ' ' THR . 7.0 p-10 -146.85 -41.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 0.817 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 128.06 6.69 4.81 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.142 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.568 HG22 ' OD2' ' A' ' 24' ' ' ASP . 0.7 OUTLIER -137.54 152.93 49.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.405 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.689 HD13 ' CB ' ' A' ' 19' ' ' PHE . 71.4 mt -118.87 102.61 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.616 HG22 ' CD ' ' A' ' 31' ' ' GLU . 6.7 t -74.81 -152.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.423 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.549 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.1 p -89.18 -51.64 5.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 110.412 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.59 -31.76 66.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.616 ' CD ' HG22 ' A' ' 28' ' ' THR . 50.0 mt-10 -79.61 -24.47 41.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.723 HD23 HD22 ' A' ' 48' ' ' LEU . 1.9 tp -82.26 -27.59 32.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.92 0.5 60.69 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.04 -39.53 21.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.357 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -73.97 -25.12 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.02 -39.89 60.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -78.48 -9.24 59.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.14 -11.6 57.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.048 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.04 -77.25 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.56 31.99 0.1 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -125.05 -176.49 3.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 110.245 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.5 t30 176.09 70.29 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HG2' HD21 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.99 124.08 8.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.483 1.78 . . . . 0.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 44' ' ' THR . 60.7 p -50.27 156.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -52.45 -30.57 30.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.49 -44.05 92.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.7 -62.95 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.723 HD22 HD23 ' A' ' 32' ' ' LEU . 12.1 mt -44.32 -59.17 2.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -40.79 -44.68 2.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -39.63 88.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.513 ' N ' ' O ' ' A' ' 48' ' ' LEU . 59.1 mtp -70.0 -54.67 12.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.539 ' HA ' HD11 ' A' ' 63' ' ' ILE . 1.2 mt -45.54 -45.65 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -52.55 -36.21 55.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 51' ' ' MET . 10.1 mt-10 -63.07 -31.22 72.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.815 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -115.89 34.26 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -158.66 95.29 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.89 -8.42 49.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -80.6 -35.66 33.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.52 34.49 49.76 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 40.9 p-10 -77.11 -21.46 54.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.13 -29.12 11.1 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.442 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 43.7 p -109.59 -178.45 3.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 0.738 . . . . 0.0 110.377 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.673 ' CD1' HG23 ' A' ' 55' ' ' VAL . 1.2 mm -121.49 145.64 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.6 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.2 m-20 -113.27 -170.14 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.704 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 9.1 t80 -76.37 -44.99 3.5 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.704 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.97 -13.0 21.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.603 ' O ' HG22 ' A' ' 70' ' ' THR . 0.9 OUTLIER -95.26 -26.7 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.548 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -91.99 -38.01 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.645 HD13 HD11 ' A' ' 9' ' ' ILE . 11.1 mt -38.63 -42.02 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.815 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.2 t -56.31 -50.03 72.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.444 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -42.98 -52.0 5.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.548 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -58.37 -48.98 78.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.46 -44.84 46.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -116.83 68.76 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -65.52 -53.2 45.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.586 HD11 HD22 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -49.31 -48.66 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . -36.93 -39.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -68.15 -52.72 31.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.583 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 37.8 m-85 -45.75 -26.26 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -41.87 -59.24 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.63 -44.64 63.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -47.35 -55.86 8.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.562 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 58.3 t80 -53.95 -34.07 58.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -59.17 -50.29 74.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -36.77 -53.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.621 ' CB ' HD13 ' A' ' 27' ' ' ILE . 75.4 m-85 -75.14 -44.61 46.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.498 ' HB2' HG12 ' A' ' 27' ' ' ILE . 22.0 t0 -82.67 87.96 6.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -63.04 -59.15 5.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.64 -22.57 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.47 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 56.99 16.38 17.9 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 p30 -60.52 -27.33 67.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.6 7.98 8.57 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 12.1 p -139.7 149.79 44.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 110.424 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.621 HD13 ' CB ' ' A' ' 19' ' ' PHE . 82.4 mt -116.77 108.09 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.37 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.586 ' OG1' ' N ' ' A' ' 29' ' ' THR . 5.0 t -79.77 -150.84 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.394 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.586 ' N ' ' OG1' ' A' ' 28' ' ' THR . 15.8 p -89.62 -47.87 7.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.456 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -61.51 -41.09 96.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.544 ' OE2' HG22 ' A' ' 28' ' ' THR . 41.3 mt-10 -69.24 -21.89 63.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.788 HD23 ' CD2' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -86.35 -37.64 18.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.27 6.44 76.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -90.35 -61.94 1.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 110.422 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.412 ' N ' HG22 ' A' ' 34' ' ' THR . 2.1 t -50.47 -25.5 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -29.8 68.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.458 ' NH2' ' CG ' ' A' ' 42' ' ' ASN . 1.3 mmt180 -50.72 -52.79 37.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.6 m -52.52 -29.85 27.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -92.87 36.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 38.03 29.7 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' LEU . 10.3 mt-30 -105.89 -178.29 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 0.739 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.458 ' CG ' ' NH2' ' A' ' 37' ' ' ARG . 14.7 t-20 170.17 74.11 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HG2' HD21 ' A' ' 48' ' ' LEU . 18.2 Cg_endo -75.04 130.82 13.58 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.82 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.2 p -50.2 155.82 0.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.447 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -52.41 -34.81 49.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.29 98.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -61.77 2.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.788 ' CD2' HD23 ' A' ' 32' ' ' LEU . 8.0 mt -45.59 -57.9 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -42.74 -41.75 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.251 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -39.67 82.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.2 mtt -67.89 -55.82 11.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.876 HG23 HG12 ' A' ' 63' ' ' ILE . 5.1 mt -44.66 -46.63 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -51.41 -50.29 59.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -51.42 -33.65 31.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.85 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -110.06 34.51 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -159.17 108.87 1.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.99 -10.01 20.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.483 ' OD2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -77.7 -42.82 33.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.13 31.24 23.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.483 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 29.6 p-10 -79.02 -17.73 54.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.2 -28.98 12.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.5 m -103.12 169.22 8.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 0.778 . . . . 0.0 110.399 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.876 HG12 HG23 ' A' ' 52' ' ' ILE . 1.1 mm -113.9 139.15 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.618 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.1 m-20 -105.81 -170.8 1.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.705 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 19.7 t80 -78.18 -43.85 2.18 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.1 Cg_endo -75.02 -18.4 18.71 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.584 ' O ' HG22 ' A' ' 70' ' ' THR . 25.6 mt-10 -89.53 -25.04 21.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.545 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -90.32 -33.48 16.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.684 HD12 ' HA ' ' A' ' 66' ' ' PRO . 11.6 mt -39.76 -45.64 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.85 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.8 t -51.9 -47.9 64.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.406 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -47.31 -53.25 14.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.545 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.0 mmt -52.54 -49.02 65.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.3 -52.88 9.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.489 ' O ' ' OXT' ' A' ' 75' ' ' LYS . 24.3 mtm180 -116.15 74.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.489 ' OXT' ' O ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.289 -0.264 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -54.31 27.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.556 HD11 HD22 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -48.09 -48.97 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.441 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -37.7 -38.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.24 -52.54 32.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.485 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 34.2 m-85 -44.8 -26.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -43.84 -51.63 7.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -58.27 -41.51 84.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.244 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -52.63 -54.07 38.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.584 ' CE1' ' CD1' ' A' ' 27' ' ' ILE . 47.4 t80 -53.25 -35.58 60.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' LEU . 15.2 m -58.64 -50.45 73.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -35.55 -52.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.547 ' CB ' HD13 ' A' ' 27' ' ' ILE . 53.8 m-85 -76.27 -47.19 24.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.497 ' HB2' HG12 ' A' ' 27' ' ' ILE . 14.3 t0 -80.26 89.53 5.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -67.06 -54.35 22.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.62 -23.86 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.92 15.97 30.13 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.888 ' OD2' HG22 ' A' ' 26' ' ' THR . 11.5 p-10 -61.59 -31.45 71.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 0.733 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.46 4.93 7.38 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.888 HG22 ' OD2' ' A' ' 24' ' ' ASP . 1.4 t -137.12 154.61 50.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 110.406 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.584 ' CD1' ' CE1' ' A' ' 16' ' ' PHE . 85.3 mt -121.05 111.58 32.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.556 ' OG1' ' N ' ' A' ' 29' ' ' THR . 6.3 t -84.18 -150.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.556 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.1 p -86.95 -48.85 7.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.384 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -52.3 66.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -58.4 -23.47 57.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.358 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.792 HD23 ' CD2' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -85.88 -38.94 17.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.428 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -82.01 -1.36 90.28 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.535 1.147 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.528 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -82.94 -67.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 110.389 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.528 ' N ' HG22 ' A' ' 34' ' ' THR . 2.1 t -43.73 -26.97 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.432 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -67.1 -44.71 79.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.447 ' NH2' ' OD1' ' A' ' 42' ' ' ASN . 1.9 mtt-85 -53.75 -26.42 23.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.23 -1.56 37.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.51 15.97 11.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.77 19.22 76.56 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -106.12 176.06 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.447 ' OD1' ' NH2' ' A' ' 37' ' ' ARG . 30.3 t-20 176.46 72.0 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 132.56 15.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.1 p -48.08 169.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 110.37 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.45 -23.64 65.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.47 -44.51 67.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.27 -62.36 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.792 ' CD2' HD23 ' A' ' 32' ' ' LEU . 7.3 mt -42.34 -58.71 2.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -39.56 -46.58 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -44.51 95.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 48' ' ' LEU . 6.0 mtt -62.45 -41.94 99.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.841 HG23 HG12 ' A' ' 63' ' ' ILE . 5.4 mt -63.28 -32.95 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -83.95 -10.75 57.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 51' ' ' MET . 2.3 mt-10 -80.78 -14.61 57.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.881 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -122.04 -42.74 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.424 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 27.3 t70 -74.77 112.54 11.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.99 -8.03 26.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.448 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -80.22 -36.49 34.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.23 32.96 41.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.448 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 35.8 p-10 -76.37 -21.68 55.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.84 -38.4 3.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.1 p -101.38 179.21 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 0.81 . . . . 0.0 110.389 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.841 HG12 HG23 ' A' ' 52' ' ' ILE . 1.3 mm -119.74 144.09 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.621 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 50.4 m-20 -109.4 -170.94 1.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.704 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 35.3 t80 -77.6 -43.96 2.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.979 ' HA ' HD12 ' A' ' 69' ' ' LEU . 18.2 Cg_endo -75.06 -20.97 16.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.475 1.776 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.499 ' O ' HG22 ' A' ' 70' ' ' THR . 1.3 mm-40 -85.32 -26.83 26.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.442 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -87.27 -29.86 21.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 111.009 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.979 HD12 ' HA ' ' A' ' 66' ' ' PRO . 7.9 mt -45.89 -55.89 6.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.881 ' CG2' HG12 ' A' ' 55' ' ' VAL . 8.8 t -40.36 -49.83 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.456 ' HA ' ' CG ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -49.92 -39.09 39.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 111.049 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' LEU . 1.5 mmt -70.89 -33.66 70.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.43 -39.01 59.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.456 ' CG ' ' HA ' ' A' ' 71' ' ' MET . 0.8 OUTLIER -88.93 37.69 0.85 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -49.92 23.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.656 HD11 HD22 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -54.56 -46.39 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . -37.56 -37.92 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -70.77 -50.73 32.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.633 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 34.6 m-85 -46.91 -31.52 3.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 4.2 mttp -39.6 -59.06 1.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -50.94 -41.9 59.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -49.12 -55.71 11.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.577 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 64.8 t80 -51.56 -34.09 35.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.3 m -56.56 -51.68 67.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -38.43 -54.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.505 ' CB ' HD13 ' A' ' 27' ' ' ILE . 56.8 m-85 -72.11 -45.71 59.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.107 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.499 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 25.5 t0 -83.45 95.96 8.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' A' ' 23' ' ' GLY . 13.2 tttt -67.32 -60.81 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 1.5 p-10 -49.35 -22.78 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 57.92 16.19 23.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.551 1.157 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 48.3 p-10 -60.84 -27.55 68.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 0.746 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 121.87 9.05 7.07 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.1 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 3.0 p -137.98 152.7 49.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 0.794 . . . . 0.0 110.371 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.577 HG13 ' CZ ' ' A' ' 16' ' ' PHE . 81.7 mt -122.43 104.6 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.6 t -77.73 -152.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.521 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.2 p -81.64 -56.64 3.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.413 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 33' ' ' GLY . 14.4 tttt -52.89 -60.14 3.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -49.67 -23.12 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.852 HD23 ' CD2' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -88.34 -33.35 18.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' LYS . . . -87.58 -3.51 80.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.525 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -81.4 -68.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.417 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.525 ' N ' HG22 ' A' ' 34' ' ' THR . 2.2 t -42.81 -27.59 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.436 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.1 OUTLIER -64.63 -45.84 85.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' THR . 2.8 mtm180 -67.76 -16.27 64.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -98.23 15.38 24.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.132 . . . . 0.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.88 -46.45 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.19 42.45 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -139.52 179.95 6.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.783 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.418 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 55.8 t-20 176.26 64.43 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.01 127.18 10.47 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.5 1.789 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.4 p -48.22 157.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.377 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.413 ' HA ' HD12 ' A' ' 48' ' ' LEU . 2.9 mt-10 -54.7 -27.41 40.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.96 -44.06 70.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.48 -61.04 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.852 ' CD2' HD23 ' A' ' 32' ' ' LEU . 7.3 mt -42.41 -58.07 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -43.3 -45.8 6.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.306 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -36.2 83.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.7 mtt -74.55 -45.71 43.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.467 HG23 HG12 ' A' ' 63' ' ' ILE . 1.4 mt -54.5 -32.0 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -74.31 -18.51 60.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' MET . 6.5 mt-10 -85.8 -16.03 40.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.951 HG12 HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -124.53 36.28 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.42 ' HB2' HD13 ' A' ' 63' ' ' ILE . 58.9 t0 -170.06 123.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.52 11.9 38.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.479 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -111.56 -33.14 6.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 50.59 42.83 45.02 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.479 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 21.9 p-10 -71.96 -20.63 61.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 0.753 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.24 16.56 6.08 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.441 1.088 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.441 ' CG2' ' HB ' ' A' ' 26' ' ' THR . 0.4 OUTLIER -160.48 164.67 32.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 110.379 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.651 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.3 mm -112.32 139.96 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.651 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.6 m-20 -115.8 -174.17 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.722 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 17.0 t80 -68.25 -44.53 37.23 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.722 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.05 -7.18 18.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.782 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.598 ' O ' HG22 ' A' ' 70' ' ' THR . 1.2 mm-40 -103.42 -33.88 8.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.536 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -85.73 -34.14 21.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.656 HD22 HD11 ' A' ' 9' ' ' ILE . 8.9 mt -37.13 -47.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.951 HG23 HG12 ' A' ' 55' ' ' VAL . 9.9 t -50.36 -52.27 38.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.525 ' HG3' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -40.83 -47.77 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.536 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -67.33 -40.79 85.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.95 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.52 -45.39 87.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -117.96 66.0 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -80.27 -42.64 22.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.682 HD11 HD22 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -61.92 -36.08 71.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.69 -39.32 5.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.51 -37.95 83.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.7 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 4.8 m-85 -68.78 -33.31 73.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 32.3 mttt -39.99 -63.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -45.24 -37.54 4.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -58.26 -53.59 56.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.453 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 66.2 t80 -61.17 -34.66 75.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.2 m -58.74 -50.51 73.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.476 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -38.19 -51.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.681 ' CB ' HD13 ' A' ' 27' ' ' ILE . 69.8 m-85 -75.52 -48.2 23.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.49 ' HB2' HG12 ' A' ' 27' ' ' ILE . 7.9 t0 -81.41 95.11 6.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.15 -51.58 13.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -50.61 -22.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.67 14.48 29.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -63.08 -29.7 71.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.43 13.37 6.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.57 1.169 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 66.8 p -142.68 153.47 43.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 110.402 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.681 HD13 ' CB ' ' A' ' 19' ' ' PHE . 73.6 mt -123.05 106.34 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.678 ' O ' HD11 ' A' ' 52' ' ' ILE . 5.4 t -79.06 -142.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.544 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.0 p -93.46 -50.08 5.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -52.99 62.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -59.11 -21.52 59.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.684 HD23 ' CD2' ' A' ' 48' ' ' LEU . 2.6 tp -85.11 -32.12 22.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.62 -5.66 74.48 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 37' ' ' ARG . 1.4 m -77.83 -64.99 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 110.4 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 2.2 t -45.88 -26.78 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -42.91 73.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.432 ' CZ ' ' OD1' ' A' ' 42' ' ' ASN . 2.0 mtt-85 -54.56 -26.6 33.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -73.88 -20.01 60.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.41 22.6 14.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 63.09 26.86 69.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.453 1.095 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -110.57 177.97 4.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.744 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.432 ' OD1' ' CZ ' ' A' ' 37' ' ' ARG . 14.4 t-20 175.86 73.63 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 144.66 30.45 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.0 p -62.6 156.83 22.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -54.4 -30.06 50.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.53 82.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.43 -59.85 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.684 ' CD2' HD23 ' A' ' 32' ' ' LEU . 7.6 mt -48.01 -59.02 3.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -41.35 -41.54 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -41.59 83.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.4 mtt -66.89 -55.22 15.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.738 HG23 HG12 ' A' ' 63' ' ' ILE . 6.3 mt -45.15 -50.37 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -47.72 -43.01 26.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 51' ' ' MET . 19.3 mt-10 -52.53 -38.31 59.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.821 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -112.94 35.78 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -155.12 92.59 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.96 -12.19 42.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.465 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -76.41 -40.22 51.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.0 32.6 25.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.465 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 33.1 p-10 -80.76 -17.99 49.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.87 -30.31 10.01 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.409 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 1.1 m -101.43 168.26 9.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 110.428 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.738 HG12 HG23 ' A' ' 52' ' ' ILE . 1.2 mm -114.82 139.52 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.608 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 36.5 m-20 -111.42 -172.14 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.678 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 7.6 t80 -75.16 -44.76 4.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.678 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -75.03 -10.81 21.33 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.582 ' O ' HG22 ' A' ' 70' ' ' THR . 1.4 mm-40 -97.07 -28.32 14.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.329 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -93.11 -36.83 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.682 HD22 HD11 ' A' ' 9' ' ' ILE . 12.4 mt -38.66 -40.03 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.821 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.5 t -57.68 -51.61 68.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.453 ' N ' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -39.13 -51.09 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.6 mmt -62.34 -49.23 76.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.413 ' HB3' ' HD3' ' A' ' 74' ' ' ARG . . . -54.68 -43.84 72.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.413 ' HD3' ' HB3' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -123.8 73.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.98 ' HG2' ' OXT' ' A' ' 75' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -47.91 71.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.488 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -53.1 -51.79 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.488 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -38.94 -37.92 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.44 -49.53 54.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.659 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 22.0 m-85 -51.28 -29.94 16.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' PHE . 38.7 mttt -39.65 -63.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -47.75 -42.69 26.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -49.95 -57.03 8.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.691 ' CE1' HD12 ' A' ' 27' ' ' ILE . 71.9 t80 -53.63 -35.98 61.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.5 t -57.64 -51.07 71.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -38.39 -51.42 1.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.433 ' CB ' HD13 ' A' ' 27' ' ' ILE . 60.6 m-85 -74.77 -43.9 52.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 30.6 t0 -83.44 95.49 8.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.409 ' C ' ' N ' ' A' ' 23' ' ' GLY . 1.8 tmtt? -65.67 -62.34 1.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -48.88 -23.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 57.93 17.06 27.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 35.7 p-10 -60.55 -29.09 68.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 124.02 4.7 7.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 31.0 p -136.37 146.93 47.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.691 HD12 ' CE1' ' A' ' 16' ' ' PHE . 83.2 mt -114.85 121.54 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.555 ' O ' HD11 ' A' ' 52' ' ' ILE . 8.6 t -96.26 -154.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.415 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.517 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.5 p -79.99 -56.55 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.434 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -54.37 -60.33 3.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.401 ' HG3' HG22 ' A' ' 28' ' ' THR . 53.1 mt-10 -43.29 -34.98 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.608 ' HB3' HD22 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -75.5 -53.6 8.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.41 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -60.97 -13.28 33.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.551 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -70.14 -70.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.399 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.551 ' N ' HG22 ' A' ' 34' ' ' THR . 2.4 t -48.06 -24.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.408 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -70.95 -43.59 67.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.41 ' NE ' ' O ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -68.33 -22.38 64.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.319 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -103.25 42.87 1.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.04 -44.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.14 42.74 0.09 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.117 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -143.42 177.49 8.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.793 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.42 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 7.5 t-20 176.46 64.37 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.03 120.36 6.03 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.477 1.777 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.5 p -41.21 157.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.363 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.59 -29.26 58.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.86 -47.21 66.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.73 -57.77 10.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.608 HD22 ' HB3' ' A' ' 32' ' ' LEU . 5.9 mt -46.46 -57.64 4.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -38.57 -45.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.236 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -44.86 78.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' LEU . 6.2 mtt -61.19 -39.77 91.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.863 HG23 ' CG1' ' A' ' 63' ' ' ILE . 4.0 mt -73.45 -29.21 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -86.13 10.62 13.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 51' ' ' MET . 1.5 mt-10 -98.44 -20.82 16.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.669 HG23 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -117.31 -39.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.406 ' OD1' ' OD2' ' A' ' 58' ' ' ASP . 11.1 t0 -69.78 84.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.68 -11.39 59.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.482 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -80.56 -29.31 37.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.56 33.3 61.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.482 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 47.3 p-10 -74.6 -23.32 58.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 109.23 -34.31 5.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.409 HG22 ' ND2' ' A' ' 60' ' ' ASN . 5.3 t -106.33 -173.78 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.41 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.863 ' CG1' HG23 ' A' ' 52' ' ' ILE . 1.1 mm -127.46 140.61 48.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.616 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 8.3 m-20 -108.64 -167.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.739 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 15.9 t80 -76.92 -44.44 2.92 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -75.04 -14.5 21.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.515 ' O ' HG22 ' A' ' 70' ' ' THR . 2.1 mm-40 -91.67 -29.45 16.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -89.85 -29.5 18.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 66' ' ' PRO . 10.3 mt -47.44 -36.41 9.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -68.9 -37.81 79.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -48.07 69.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.571 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.0 mmt -63.89 -47.46 80.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.4 -46.01 87.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -109.03 58.7 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -47.97 76.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.51 HD11 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -51.9 -46.94 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.418 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -41.67 -38.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -70.32 -45.12 66.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.631 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 30.3 m-85 -57.4 -32.87 67.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 10.6 mtmm -40.26 -57.15 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -52.28 -39.34 60.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -52.43 -52.97 51.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 67.5 t80 -51.48 -37.27 48.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 18' ' ' LEU . 16.1 m -55.81 -52.73 62.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.037 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -34.98 -49.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.635 ' CB ' HD13 ' A' ' 27' ' ' ILE . 81.4 m-85 -78.76 -48.87 14.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' HG12 ' A' ' 27' ' ' ILE . 36.6 t0 -80.2 83.05 6.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -39.04 87.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -67.51 -22.29 65.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.478 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 56.86 16.33 17.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -60.87 -37.1 80.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.44 -6.2 4.93 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 30.5 p -130.4 147.2 52.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 0.76 . . . . 0.0 110.415 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.635 HD13 ' CB ' ' A' ' 19' ' ' PHE . 91.3 mt -113.79 104.74 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.526 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.2 t -73.01 -153.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.381 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.526 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.8 p -84.16 -52.81 5.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 110.385 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' GLY . 26.4 tttt -54.28 -57.62 10.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -52.18 -21.44 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.612 ' HB3' HD22 ' A' ' 48' ' ' LEU . 1.5 tp -87.41 -28.93 21.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' LYS . . . -89.7 -2.61 75.47 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.528 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -82.57 -66.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.748 . . . . 0.0 110.375 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.528 ' N ' HG22 ' A' ' 34' ' ' THR . 2.2 t -44.15 -27.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.406 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -66.38 -44.38 83.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 111.011 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.6 OUTLIER -52.71 -24.23 8.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 m -73.34 -21.55 60.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.45 26.46 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.14 23.6 62.1 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.445 1.091 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -105.19 -177.11 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 0.808 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.5 t30 170.61 71.06 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 144.11 29.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.2 p -62.08 167.7 3.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -63.03 -22.47 66.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.93 -48.97 41.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -55.97 -56.59 18.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 32' ' ' LEU . 6.9 mt -48.63 -56.92 7.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -41.2 -38.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -42.59 58.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.499 ' O ' HG22 ' A' ' 55' ' ' VAL . 5.5 mtt -63.69 -42.63 97.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.707 HG23 HG12 ' A' ' 63' ' ' ILE . 4.0 mt -59.66 -61.3 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -40.95 -52.59 3.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -43.68 -46.89 7.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.721 HG12 HG23 ' A' ' 70' ' ' THR . 0.7 OUTLIER -104.63 34.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.51 91.46 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.38 -1.92 58.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -87.41 -27.22 22.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 47.8 40.02 18.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 30.4 p-10 -101.58 -7.08 23.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.607 ' C ' HG23 ' A' ' 62' ' ' THR . . . 106.22 142.15 10.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.607 HG23 ' C ' ' A' ' 61' ' ' GLY . 1.1 p 61.85 175.04 0.12 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 0.773 . . . . 0.0 110.438 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.707 HG12 HG23 ' A' ' 52' ' ' ILE . 1.2 mm -121.46 137.6 54.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.647 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.1 m-20 -99.86 -172.48 2.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.725 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 28.7 t80 -70.75 -44.46 16.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.96 -14.45 21.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.432 1.754 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.517 ' O ' ' CG2' ' A' ' 70' ' ' THR . 18.3 mt-10 -95.56 -22.89 17.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.526 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.3 OUTLIER -94.18 -32.22 13.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.946 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 66' ' ' PRO . 9.5 mt -45.32 -35.77 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.721 HG23 HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -62.02 -38.91 90.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 110.415 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -55.97 -58.12 9.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.526 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.1 mmt -50.15 -40.94 48.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 70' ' ' THR . . . -49.33 -54.42 17.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.9 mtm180 -110.28 71.18 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.4 mm-40 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -48.1 -41.51 26.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 110.315 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.538 HG13 HD21 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -54.65 -50.46 59.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.47 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -40.19 -36.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -70.63 -47.89 57.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.583 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 19.5 m-85 -53.84 -33.07 55.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.565 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 15.3 mtmt -40.41 -56.59 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -52.78 -40.78 63.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -52.98 -55.64 22.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.725 ' CE1' HD12 ' A' ' 27' ' ' ILE . 59.8 t80 -46.56 -34.1 4.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.3 t -55.46 -53.83 51.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -38.3 -54.4 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -71.26 -48.33 51.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.513 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 25.2 t0 -82.4 96.07 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.424 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -67.29 -60.54 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -49.7 -21.43 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 54.73 18.61 11.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.456 1.097 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.9 p30 -63.44 -23.96 67.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.17 9.44 8.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 2.5 p -137.87 162.97 32.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.455 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.725 HD12 ' CE1' ' A' ' 16' ' ' PHE . 81.0 mt -131.23 116.52 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.573 ' OG1' ' N ' ' A' ' 29' ' ' THR . 5.3 t -92.98 -152.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.402 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.573 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.9 p -90.02 -39.13 13.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.413 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -24.89 63.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.368 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.484 ' OE1' HG22 ' A' ' 28' ' ' THR . 44.9 mt-10 -91.31 -12.81 33.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.878 HD23 ' CD2' ' A' ' 48' ' ' LEU . 1.6 tp -94.08 -37.43 11.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -83.62 -5.76 87.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.476 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -76.83 -65.25 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.408 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.476 ' N ' HG22 ' A' ' 34' ' ' THR . 2.2 t -45.57 -26.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.405 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -71.33 -41.82 69.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.446 ' NE ' ' O ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -68.27 -42.05 80.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.8 m -52.13 -25.16 8.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.959 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.0 -85.82 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.05 31.64 0.12 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -124.82 179.17 5.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 110.281 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 177.98 71.73 0.11 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 134.35 17.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.6 p -53.32 157.97 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.18 -24.84 57.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.29 -44.13 72.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.88 -62.27 2.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.878 ' CD2' HD23 ' A' ' 32' ' ' LEU . 6.7 mt -42.95 -58.46 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -41.39 -43.86 2.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -40.31 82.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.497 ' O ' HG22 ' A' ' 55' ' ' VAL . 4.8 mtt -68.33 -48.85 63.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.413 HG23 HG12 ' A' ' 63' ' ' ILE . 1.1 mt -52.42 -51.17 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -48.55 -51.81 25.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -48.57 -38.2 19.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.045 HG12 HG23 ' A' ' 70' ' ' THR . 1.2 m -107.83 38.02 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -163.53 111.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.57 -10.1 18.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -84.5 -20.04 32.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.436 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 40.11 43.33 2.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -83.99 -19.08 35.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 0.767 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.12 42.16 2.12 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 179.27 153.34 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 0.73 . . . . 0.0 110.388 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' ILE . 2.7 mm -106.51 137.04 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.66 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.1 m-20 -115.0 -171.43 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.688 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 9.3 t80 -69.81 -43.82 21.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.688 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.02 -10.04 21.0 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.5 1.79 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.675 ' O ' HG22 ' A' ' 70' ' ' THR . 1.4 mm-40 -100.28 -25.69 14.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.576 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -93.4 -29.14 15.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.538 HD21 HG13 ' A' ' 9' ' ' ILE . 13.0 mt -48.78 -25.49 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' THR . . . . . 1.045 HG23 HG12 ' A' ' 55' ' ' VAL . 1.3 t -75.5 -35.67 60.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.382 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -53.89 -57.69 10.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -64.89 -28.92 69.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.76 -42.26 82.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -88.12 38.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -79.23 -45.72 19.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.593 HD11 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -58.77 -39.44 76.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -41.83 -39.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -68.11 -41.92 81.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.701 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 8.1 m-85 -63.74 -31.9 73.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 9.8 mttp -40.48 -61.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -46.18 -37.53 7.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -56.81 -54.1 50.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.576 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 53.5 t80 -59.39 -32.68 70.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -60.68 -50.53 73.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.042 179.95 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -39.28 -59.75 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.61 ' CB ' HD13 ' A' ' 27' ' ' ILE . 34.2 m-85 -65.01 -46.69 80.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -74.74 82.08 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.6 17.76 5.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.443 ' OD1' ' CG ' ' A' ' 24' ' ' ASP . 1.6 p30 -113.62 -19.36 11.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.08 81.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 33.1 p-10 -146.4 -42.42 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 135.38 -4.66 4.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 30.7 p -128.25 159.14 36.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 0.765 . . . . 0.0 110.41 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.61 HD13 ' CB ' ' A' ' 19' ' ' PHE . 85.3 mt -124.53 96.52 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.666 HG22 ' HG3' ' A' ' 31' ' ' GLU . 7.3 t -68.01 -152.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.54 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.0 p -90.34 -52.97 4.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -54.77 -26.54 35.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.666 ' HG3' HG22 ' A' ' 28' ' ' THR . 1.3 mm-40 -87.41 -18.64 29.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.736 HD22 HG13 ' A' ' 52' ' ' ILE . 5.1 tp -87.92 -29.65 20.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.75 -3.33 64.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -79.68 -60.88 2.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 0.0 110.387 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 1.9 t -46.73 -32.3 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -65.74 -37.88 87.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 42' ' ' ASN . 6.3 mmt180 -41.43 -36.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -49.56 75.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.997 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' MET . 1.0 OUTLIER -69.71 -20.53 63.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.35 16.06 63.12 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.469 ' O ' ' C ' ' A' ' 42' ' ' ASN . 5.1 mt-30 -72.53 -37.66 68.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.747 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.469 ' C ' ' O ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER 34.64 71.81 0.76 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.535 ' HG2' HD21 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -74.98 158.3 42.35 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.476 1.777 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.9 p -82.34 155.17 24.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.04 -21.62 46.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.19 -45.63 39.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.35 -60.68 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.62 HD22 ' HB3' ' A' ' 32' ' ' LEU . 8.8 mt -42.71 -59.49 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -41.35 -47.66 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -39.79 95.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.0 mtt -69.67 -55.79 9.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.736 HG13 HD22 ' A' ' 32' ' ' LEU . 1.2 mt -45.48 -45.7 4.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -51.72 -34.9 40.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 51' ' ' MET . 15.2 mt-10 -63.04 -34.75 78.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.803 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -112.99 32.55 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 0.4 OUTLIER -156.59 100.93 1.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.55 -9.15 30.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -79.68 -35.8 38.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.74 32.85 44.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.586 ' ND2' HG22 ' A' ' 62' ' ' THR . 52.7 p-10 -76.59 -19.72 57.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 0.802 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.492 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 103.67 -29.57 11.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.586 HG22 ' ND2' ' A' ' 60' ' ' ASN . 10.9 t -107.57 -179.26 3.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 110.419 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.699 ' CD1' HG23 ' A' ' 55' ' ' VAL . 1.1 mm -122.83 141.42 43.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.611 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.5 m-20 -110.15 -170.99 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.689 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 9.5 t80 -75.04 -44.8 4.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.689 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.04 -11.46 21.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.467 1.772 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.611 ' O ' HG22 ' A' ' 70' ' ' THR . 1.0 OUTLIER -96.96 -28.16 14.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.505 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -91.94 -37.9 12.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.593 HD22 HD11 ' A' ' 9' ' ' ILE . 13.4 mt -38.3 -41.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.803 ' CG2' HG12 ' A' ' 55' ' ' VAL . 2.5 t -55.75 -51.92 65.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -40.69 -51.64 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.944 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.505 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -61.95 -43.7 98.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.4 -44.57 80.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -111.36 63.31 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.935 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 9.0 mtt . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.512 0.196 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -151.9 -175.4 5.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.35 -176.81 3.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 179.55 142.88 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.567 HD12 ' CG2' ' A' ' 5' ' ' THR . 0.3 OUTLIER -56.7 -170.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.567 ' CG2' HD12 ' A' ' 4' ' ' LEU . 1.4 p 59.07 -152.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.382 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.459 ' O ' HG22 ' A' ' 9' ' ' ILE . 27.1 mt-10 -35.27 -60.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.611 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.2 mm-40 -40.77 -46.43 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -49.28 -52.94 24.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.523 HD11 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -47.08 -45.98 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -40.07 -37.98 0.67 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -71.84 -48.51 45.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.527 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 25.0 m-85 -49.29 -29.38 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 111.024 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -44.01 -54.72 5.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -54.49 -44.11 72.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -49.47 -54.83 15.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.62 ' CE1' ' CD1' ' A' ' 27' ' ' ILE . 46.7 t80 -53.49 -31.95 48.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -62.42 -51.96 65.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -36.66 -56.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.53 ' CB ' HD13 ' A' ' 27' ' ' ILE . 56.1 m-85 -70.52 -41.17 72.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -79.21 95.97 5.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.46 19.59 7.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -114.11 -20.18 11.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.51 16.24 21.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 37.7 p30 -81.97 -31.19 31.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.741 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 117.22 16.98 5.91 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.471 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 6.6 p -140.57 152.34 45.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 0.736 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.62 ' CD1' ' CE1' ' A' ' 16' ' ' PHE . 67.5 mt -122.16 102.77 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.63 ' O ' HD11 ' A' ' 52' ' ' ILE . 10.2 t -79.55 -154.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.488 ' N ' ' OG1' ' A' ' 28' ' ' THR . 6.1 p -80.58 -62.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.371 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -46.95 -56.6 6.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -50.1 -29.03 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.75 ' HB3' HD22 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -82.02 -39.38 23.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.29 8.54 52.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.574 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -96.06 -68.9 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.381 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.574 ' N ' HG22 ' A' ' 34' ' ' THR . 2.2 t -45.5 -31.53 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -50.51 -30.59 13.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.475 ' CZ ' HG23 ' A' ' 34' ' ' THR . 1.2 ptt180 -57.1 -30.13 64.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.1 m -67.34 -39.92 85.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.966 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.51 -12.91 59.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.75 22.26 34.17 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -108.16 176.63 5.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.4 t30 177.27 72.09 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 166.68 28.67 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.533 1.807 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 p -76.44 174.02 10.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.47 -10.79 60.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.59 -54.17 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.81 -57.42 12.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.75 HD22 ' HB3' ' A' ' 32' ' ' LEU . 6.0 mt -45.51 -58.27 3.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -39.8 -46.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -42.8 93.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.9 mtt -63.59 -40.1 96.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.954 HG23 HG12 ' A' ' 63' ' ' ILE . 4.9 mt -71.46 -27.22 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -88.77 7.09 35.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 51' ' ' MET . 1.7 mt-10 -95.83 -18.29 20.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.684 HG23 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -119.25 -40.43 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -71.43 98.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.15 -7.98 57.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -82.26 -31.27 30.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.97 32.93 58.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 49.8 p30 -74.22 -20.53 60.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 104.0 -25.91 24.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.446 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 1.2 t -112.33 -179.21 3.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 110.42 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.954 HG12 HG23 ' A' ' 52' ' ' ILE . 1.1 mm -123.18 139.06 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.623 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 58.9 m-20 -103.4 -169.27 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.718 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 19.7 t80 -76.86 -44.11 2.96 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.914 ' HA ' HD12 ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.0 -25.68 11.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.792 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.529 ' O ' ' CG2' ' A' ' 70' ' ' THR . 1.1 mm-40 -80.08 -22.6 42.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -92.87 -29.98 15.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.914 HD12 ' HA ' ' A' ' 66' ' ' PRO . 6.1 mt -52.83 -36.83 59.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.529 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -61.72 -37.36 83.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.363 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -37.54 75.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.65 -46.59 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.91 -42.39 48.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -42.79 -91.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.468 ' O ' ' HB2' ' A' ' 1' ' ' ALA . 8.8 ptt? . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.46 0.171 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 0' ' ' MET . . . 177.49 135.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.7 t70 172.21 104.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -176.6 127.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.724 HD13 ' OE1' ' A' ' 8' ' ' GLN . 0.3 OUTLIER -82.79 179.13 7.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.498 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -154.04 -164.46 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.431 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' ILE . 41.8 mt-10 -46.06 -30.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -41.19 -41.81 1.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.724 ' OE1' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -62.33 -43.53 98.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.497 HG13 HD21 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -56.31 -48.28 79.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.43 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -42.83 -37.88 1.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.2 -39.43 71.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.604 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 4.2 m-85 -68.05 -33.32 74.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.575 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 6.9 mttt -38.76 -60.16 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -49.75 -42.31 46.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -52.65 -55.75 20.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.543 ' CE1' HD12 ' A' ' 27' ' ' ILE . 59.0 t80 -53.02 -35.34 59.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -58.21 -52.26 66.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -36.47 -56.89 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.57 ' CB ' HD13 ' A' ' 27' ' ' ILE . 50.4 m-85 -70.22 -44.42 68.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.498 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 21.4 t0 -83.15 87.82 6.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' A' ' 23' ' ' GLY . 10.9 tptt -62.26 -61.49 2.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.48 -24.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.461 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.63 17.49 34.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 11.2 p30 -61.81 -29.59 70.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 125.16 4.11 7.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 4.8 p -135.3 151.72 50.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 110.414 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.57 HD13 ' CB ' ' A' ' 19' ' ' PHE . 95.5 mt -118.42 99.38 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.529 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.2 t -72.23 -151.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.529 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.6 p -87.08 -55.25 3.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -53.49 -42.54 67.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.43 ' OE2' HG22 ' A' ' 28' ' ' THR . 46.8 mt-10 -68.23 -20.71 64.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.612 HD23 HD23 ' A' ' 48' ' ' LEU . 1.7 tp -88.26 -29.84 20.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.53 8.71 74.52 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.87 -61.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 0.0 110.421 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 2.1 t -47.77 -28.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.17 -45.05 86.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -62.89 -29.25 70.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 p -64.51 -18.99 65.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.957 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.81 -77.94 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.31 36.17 0.05 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.543 1.152 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -131.81 169.22 16.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 110.254 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 0.3 OUTLIER -167.12 73.39 1.04 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 146.41 32.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.6 p -71.18 163.43 27.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.18 -24.78 56.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.51 -45.39 72.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.32 -62.32 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.612 HD23 HD23 ' A' ' 32' ' ' LEU . 6.4 mt -41.88 -58.3 2.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -42.24 -42.52 3.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -38.89 82.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 48' ' ' LEU . 25.4 mtp -69.63 -47.25 64.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.793 HG23 HG12 ' A' ' 63' ' ' ILE . 5.7 mt -52.57 -52.67 24.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -46.04 -54.47 8.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -45.43 -38.12 5.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.97 HG12 HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -110.19 34.49 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -159.25 92.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.8 -7.14 55.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -82.15 -33.52 29.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.87 34.34 56.2 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.634 ' ND2' HG22 ' A' ' 62' ' ' THR . 50.7 p-10 -75.84 -21.76 56.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.447 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 105.92 -25.22 24.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.634 HG22 ' ND2' ' A' ' 60' ' ' ASN . 7.2 t -113.32 -177.68 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.793 HG12 HG23 ' A' ' 52' ' ' ILE . 1.2 mm -122.42 142.84 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.6 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 33.5 m-20 -112.32 -169.7 1.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.746 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 11.7 t80 -77.37 -44.78 2.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.746 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.99 -12.0 21.51 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.496 ' O ' ' CG2' ' A' ' 70' ' ' THR . 1.0 OUTLIER -96.47 -22.79 16.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -95.89 -30.25 13.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 66' ' ' PRO . 11.1 mt -47.64 -28.75 2.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.97 HG23 HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -70.54 -36.55 73.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.39 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -57.73 -49.94 74.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.559 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.1 mmt -59.8 -41.84 92.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.73 92.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.52 59.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.664 ' O ' ' HB2' ' A' ' 1' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.476 0.179 . . . . 0.0 111.024 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 0' ' ' MET . . . 164.69 103.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -162.34 29.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -166.42 119.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.473 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.3 OUTLIER -53.94 178.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.473 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -151.99 -165.22 2.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 9' ' ' ILE . 43.3 mt-10 -42.71 -34.89 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 6' ' ' GLU . 1.2 mm-40 -37.09 -40.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -48.66 49.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.561 HG13 HD21 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -53.8 -45.45 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -41.71 -39.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.06 -44.45 84.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.657 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 54.8 m-85 -61.44 -34.44 75.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.521 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 56.4 mttm -39.5 -62.57 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -47.02 -38.71 11.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -58.12 -55.15 38.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.666 ' CE1' HD12 ' A' ' 27' ' ' ILE . 59.0 t80 -56.28 -35.43 67.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.6 t -59.7 -51.48 69.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.024 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -38.73 -50.87 1.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.473 ' CB ' HD13 ' A' ' 27' ' ' ILE . 23.3 m-85 -76.24 -42.76 44.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.17 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 23.7 t0 -84.59 87.2 7.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.417 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER -61.48 -61.39 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.24 -23.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.46 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.18 16.84 28.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 36.5 p-10 -60.61 -30.99 70.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.424 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 126.23 1.13 7.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 44.7 p -132.94 146.97 52.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.666 HD12 ' CE1' ' A' ' 16' ' ' PHE . 89.3 mt -114.25 109.07 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.4 t -82.8 -152.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.403 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.521 ' N ' ' OG1' ' A' ' 28' ' ' THR . 34.1 p -90.06 -44.65 9.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.433 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -66.47 -21.34 66.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.477 ' CG ' HG22 ' A' ' 28' ' ' THR . 49.1 mt-10 -93.09 -12.2 31.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.702 HD23 ' CD2' ' A' ' 48' ' ' LEU . 2.0 tp -93.19 -36.92 12.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.28 -10.72 81.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -69.81 -63.09 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 0.0 110.45 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.428 ' N ' HG22 ' A' ' 34' ' ' THR . 2.2 t -49.87 -27.66 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -43.56 75.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -65.58 -19.8 66.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 t -106.45 32.43 4.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 tt -146.44 -46.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.94 44.07 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -148.05 179.41 7.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.415 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 31.2 t-20 177.61 64.66 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.251 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HG2' HD21 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.02 137.54 21.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.9 p -59.97 157.71 12.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -52.08 -31.17 29.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.31 -45.01 77.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.7 -60.75 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.702 ' CD2' HD23 ' A' ' 32' ' ' LEU . 9.6 mt -45.98 -58.86 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -42.11 -44.06 3.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -38.71 92.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.507 ' N ' ' O ' ' A' ' 48' ' ' LEU . 45.8 mtp -70.15 -54.64 12.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.794 HG23 HG12 ' A' ' 63' ' ' ILE . 6.9 mt -45.2 -46.32 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -52.69 -38.31 60.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 51' ' ' MET . 13.0 mt-10 -60.85 -34.81 75.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.794 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -111.2 32.97 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.416 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 4.0 t70 -157.76 103.27 1.89 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.07 -8.87 29.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -78.69 -35.69 44.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.416 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 77.92 33.54 41.15 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 51.4 p-10 -77.44 -20.82 53.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 104.5 -28.99 12.71 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.4 p -108.37 -176.6 3.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 110.421 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.794 HG12 HG23 ' A' ' 52' ' ' ILE . 1.1 mm -124.75 142.55 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.604 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.9 OUTLIER -108.53 -167.38 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.716 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 15.1 t80 -79.54 -44.33 1.61 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.716 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.99 -14.41 21.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.624 ' O ' HG22 ' A' ' 70' ' ' THR . 16.7 mt-10 -94.3 -25.13 17.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 71' ' ' MET . 0.4 OUTLIER -92.72 -36.97 12.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.561 HD21 HG13 ' A' ' 9' ' ' ILE . 9.2 mt -39.74 -38.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.794 ' CG2' HG12 ' A' ' 55' ' ' VAL . 2.6 t -59.37 -49.82 76.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.448 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -42.97 -51.86 5.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -49.32 77.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.96 -44.81 64.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -48.36 -36.05 13.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.991 ' OXT' ' CG ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.0 mtt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.456 0.17 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -118.68 -99.96 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.3 t70 169.27 108.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.47 126.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.498 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.4 OUTLIER -88.01 175.79 7.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.498 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -154.76 -164.06 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.455 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 9' ' ' ILE . 42.0 mt-10 -46.49 -31.14 2.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -39.65 -39.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.06 -44.83 71.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.566 HG13 HD21 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -55.52 -43.4 72.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -42.26 -36.71 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -69.52 -41.75 75.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.645 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 48.3 m-85 -63.8 -34.74 78.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 2.4 mtmp? -40.19 -60.94 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -48.53 -40.72 27.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.244 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -53.31 -55.69 22.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.582 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 60.9 t80 -53.75 -32.2 51.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -59.53 -51.7 68.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.952 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -37.76 -54.55 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.688 ' CB ' HD13 ' A' ' 27' ' ' ILE . 63.0 m-85 -73.82 -45.18 52.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.48 ' HB2' HG12 ' A' ' 27' ' ' ILE . 15.6 t0 -83.99 83.87 7.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.44 -23.46 61.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.422 ' OD1' ' CD ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -74.23 -26.55 60.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 63.98 10.33 39.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -62.71 -34.66 77.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.784 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.32 1.63 8.51 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.572 1.17 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 43.1 p -135.5 142.53 45.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.688 HD13 ' CB ' ' A' ' 19' ' ' PHE . 92.4 mt -109.01 109.57 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.916 HG22 ' CD ' ' A' ' 31' ' ' GLU . 5.6 t -80.18 -151.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.441 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.57 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.4 p -90.03 -47.95 7.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.418 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -62.85 -27.14 69.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.916 ' CD ' HG22 ' A' ' 28' ' ' THR . 38.9 mt-10 -85.18 -17.7 36.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.724 HD23 ' CD2' ' A' ' 48' ' ' LEU . 1.4 tp -89.32 -35.82 15.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.48 -10.49 81.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.34 -60.03 2.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 0.754 . . . . 0.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 t -54.27 -28.05 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -40.8 64.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -19.67 42.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 m -113.41 40.76 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -154.73 24.39 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.81 6.17 71.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.122 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -108.96 174.7 5.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.403 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 57.2 t-20 176.36 65.23 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.01 139.62 24.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.782 . . . . 0.0 111.028 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.2 p -64.41 164.39 11.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.433 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -58.38 -22.38 53.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.27 -46.13 51.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.4 -60.9 3.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.724 ' CD2' HD23 ' A' ' 32' ' ' LEU . 8.3 mt -43.4 -58.58 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -42.71 -43.85 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -36.98 84.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 48' ' ' LEU . 21.6 mtp -73.66 -49.22 27.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 111.034 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.441 ' HA ' HD11 ' A' ' 63' ' ' ILE . 1.4 mt -51.36 -38.12 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -62.3 -22.54 66.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 51' ' ' MET . 19.7 mt-10 -77.57 -26.07 50.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.84 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -119.35 31.72 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.408 ' OD1' ' ND2' ' A' ' 60' ' ' ASN . 14.6 t70 -158.4 110.48 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.16 -9.13 21.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.456 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -78.17 -38.47 43.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.81 33.22 34.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.123 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.549 ' N ' HD21 ' A' ' 60' ' ' ASN . 0.0 OUTLIER -78.39 -21.33 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.473 ' H ' HD21 ' A' ' 60' ' ' ASN . . . 107.2 -35.75 4.83 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.442 1.089 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.419 HG22 ' HA ' ' A' ' 28' ' ' THR . 10.5 p -101.02 178.38 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 0.736 . . . . 0.0 110.429 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.62 ' CD1' HG23 ' A' ' 55' ' ' VAL . 1.4 mm -121.65 139.63 48.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.62 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.2 m-20 -106.7 -171.13 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.702 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 9.9 t80 -75.11 -44.45 4.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.99 -11.02 21.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.627 ' O ' HG22 ' A' ' 70' ' ' THR . 13.5 mt-10 -99.0 -28.51 13.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.345 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.539 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -89.51 -36.5 15.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.566 HD21 HG13 ' A' ' 9' ' ' ILE . 9.3 mt -38.16 -45.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.84 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.9 t -50.65 -52.65 37.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.4 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.464 ' N ' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -41.88 -52.92 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.539 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.4 mmt -55.55 -52.41 63.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.06 -48.47 61.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.509 ' O ' ' NE ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -121.72 75.83 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.646 ' O ' ' HB2' ' A' ' 1' ' ' ALA . 20.8 mtt . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.526 0.203 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 0' ' ' MET . . . 165.05 79.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.6 t0 179.37 46.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -161.61 118.52 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.473 HD13 ' OE1' ' A' ' 8' ' ' GLN . 0.3 OUTLIER -70.56 176.45 4.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.457 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -151.46 -166.13 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.371 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.487 ' O ' HG22 ' A' ' 9' ' ' ILE . 42.8 mt-10 -45.29 -31.76 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -39.9 -41.58 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.473 ' OE1' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -65.65 -42.86 90.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.566 HD11 HD13 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -56.82 -42.66 78.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -44.23 -38.61 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.1 -37.02 83.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.574 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 9.7 m-85 -73.25 -32.88 64.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.578 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 5.8 mtmm -39.79 -58.69 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.5 -40.45 51.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -57.17 -53.84 53.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.605 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 56.0 t80 -58.64 -32.07 68.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 18' ' ' LEU . 22.8 m -62.62 -49.59 74.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -38.18 -51.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.653 ' CB ' HD13 ' A' ' 27' ' ' ILE . 49.9 m-85 -76.03 -47.14 25.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.29 102.01 4.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.94 35.08 3.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -114.03 -85.31 0.6 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.89 40.88 0.1 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.784 ' OD2' HG22 ' A' ' 26' ' ' THR . 2.1 p30 -124.16 -30.08 3.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.97 24.24 6.11 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.784 HG22 ' OD2' ' A' ' 24' ' ' ASP . 4.6 t -135.86 161.87 34.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.653 HD13 ' CB ' ' A' ' 19' ' ' PHE . 60.9 mt -129.05 102.83 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.679 ' O ' HD11 ' A' ' 52' ' ' ILE . 5.3 t -78.1 -150.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.572 ' N ' ' OG1' ' A' ' 28' ' ' THR . 5.5 p -85.47 -53.37 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -54.45 -58.97 5.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -49.55 -26.06 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.81 HD23 ' CD2' ' A' ' 48' ' ' LEU . 0.8 OUTLIER -82.81 -36.0 25.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 30' ' ' LYS . . . -85.52 7.87 74.44 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.596 1.185 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.43 -48.21 7.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 0.735 . . . . 0.0 110.402 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.59 -23.71 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -42.76 65.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -79.65 -2.67 43.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 t -99.42 13.6 32.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.07 -47.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.55 43.38 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -139.45 176.97 8.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.793 . . . . 0.0 110.27 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 176.41 68.43 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.069 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.4 28.92 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.0 p -60.98 154.81 21.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -52.92 -25.35 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.19 -45.35 70.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.41 -61.2 2.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.81 ' CD2' HD23 ' A' ' 32' ' ' LEU . 8.6 mt -45.96 -58.33 3.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -42.33 -44.46 3.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -38.97 93.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 48' ' ' LEU . 10.5 mtt -70.01 -52.25 25.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.878 HG23 HG12 ' A' ' 63' ' ' ILE . 7.0 mt -54.25 -28.38 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -75.44 -3.87 36.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 51' ' ' MET . 17.4 mt-10 -94.49 -29.37 14.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.825 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -115.7 34.73 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -155.07 89.45 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.37 -9.02 59.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.486 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -79.72 -35.83 38.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.17 35.35 53.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.461 1.101 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.486 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 35.0 p-10 -78.56 -21.96 47.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.59 -27.67 14.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.82 171.26 7.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.878 HG12 HG23 ' A' ' 52' ' ' ILE . 1.5 mm -116.0 142.81 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.582 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 48.8 m-20 -111.75 -168.11 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.7 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 7.5 t80 -79.29 -44.99 1.69 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.7 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.95 -13.68 21.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.607 ' O ' HG22 ' A' ' 70' ' ' THR . 1.2 mm-40 -94.28 -27.15 16.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -92.09 -38.35 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 111.022 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.566 HD13 HD11 ' A' ' 9' ' ' ILE . 9.8 mt -38.47 -41.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.825 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.7 t -54.0 -52.5 60.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.469 ' N ' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -39.9 -49.22 2.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.98 -48.88 76.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.14 -44.27 83.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.88 63.03 0.65 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.1 mtp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.533 0.206 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -176.61 49.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -159.74 -163.75 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -163.35 126.04 2.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.235 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.997 HD12 HG23 ' A' ' 5' ' ' THR . 0.6 OUTLIER -85.3 -166.24 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.997 HG23 HD12 ' A' ' 4' ' ' LEU . 17.6 p 50.97 161.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.432 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 9' ' ' ILE . 34.2 mt-10 68.63 -54.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -79.64 -44.36 21.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.76 -36.83 62.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -59.43 -48.7 86.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -38.71 -37.34 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -69.04 -51.48 38.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.61 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 29.8 m-85 -47.01 -31.93 3.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.052 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' PHE . 71.3 mttt -40.36 -58.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -51.88 -42.25 62.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -49.83 -57.4 7.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.672 ' CE1' HD12 ' A' ' 27' ' ' ILE . 60.5 t80 -51.96 -36.69 50.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.8 t -57.91 -51.88 67.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -36.8 -51.73 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.252 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.447 ' CB ' HD13 ' A' ' 27' ' ' ILE . 58.6 m-85 -75.25 -45.58 39.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.48 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 32.4 t0 -80.62 88.63 5.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -59.91 -62.67 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -49.12 -23.07 1.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.122 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.459 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 56.68 18.76 25.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 7.5 p30 -61.23 -28.73 69.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 124.14 4.11 7.9 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 44.2 p -136.96 147.02 46.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.798 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.672 HD12 ' CE1' ' A' ' 16' ' ' PHE . 87.2 mt -114.63 115.8 50.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.665 ' O ' HD11 ' A' ' 52' ' ' ILE . 7.3 t -88.37 -152.32 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.539 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.8 p -81.4 -55.41 4.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 32' ' ' LEU . 2.5 tttt -55.68 -60.82 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -45.92 -25.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.811 HD23 ' CD2' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -84.04 -48.44 9.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.408 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -70.35 -4.66 51.94 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.505 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -76.87 -66.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.407 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.505 ' N ' HG22 ' A' ' 34' ' ' THR . 2.4 t -49.95 -27.81 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -43.89 95.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.436 ' NH2' ' OD1' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -57.22 -17.89 13.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.2 -6.11 59.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.016 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.55 17.03 14.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.8 16.53 74.49 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -101.03 -179.21 3.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.436 ' OD1' ' NH2' ' A' ' 37' ' ' ARG . 15.5 t30 170.47 68.75 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 127.41 10.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.451 1.764 . . . . 0.0 110.963 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.8 p -44.64 161.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.427 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -58.94 -28.78 66.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.11 -44.5 79.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -59.99 -62.01 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.811 ' CD2' HD23 ' A' ' 32' ' ' LEU . 7.1 mt -43.74 -58.08 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -38.85 -44.1 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.15 -45.69 83.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.8 mtt -60.98 -42.66 98.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.968 HG23 HG12 ' A' ' 63' ' ' ILE . 5.6 mt -66.35 -29.05 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -90.69 7.51 39.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 51' ' ' MET . 1.2 mt-10 -98.08 -17.4 19.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.644 HG23 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -119.52 -40.19 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -72.9 106.77 4.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.02 -6.16 51.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.457 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -83.39 -33.59 25.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.48 33.7 55.66 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.457 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 48.7 p-10 -74.66 -22.74 58.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 109.14 -29.9 9.18 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 p -108.98 -177.43 3.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 0.737 . . . . 0.0 110.432 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.968 HG12 HG23 ' A' ' 52' ' ' ILE . 1.1 mm -123.82 141.13 45.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.625 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 15.8 m-20 -106.43 -169.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.708 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 16.9 t80 -78.33 -43.76 2.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.826 ' HA ' HD12 ' A' ' 69' ' ' LEU . 18.0 Cg_endo -75.07 -20.4 16.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.467 1.772 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.523 ' O ' HG22 ' A' ' 70' ' ' THR . 19.3 mt-10 -87.59 -22.54 24.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.578 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -92.77 -31.4 15.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.826 HD12 ' HA ' ' A' ' 66' ' ' PRO . 8.0 mt -47.8 -35.07 9.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -65.07 -36.66 85.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.424 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -59.07 -41.97 89.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.578 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.1 mmt -67.76 -40.75 84.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.82 -44.9 88.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.62 59.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.5 ttt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.475 0.178 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -161.56 -82.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -74.15 118.18 16.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 64.56 121.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.49 HD13 ' OE1' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -49.78 177.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.474 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -152.79 -162.62 1.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 9' ' ' ILE . 44.8 mt-10 -42.44 -35.95 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' GLU . 1.5 mt-10 -37.82 -42.11 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.49 ' OE1' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -70.37 -48.62 55.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.301 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -54.48 -46.95 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . -39.12 -38.03 0.44 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.158 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -67.83 -47.53 68.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.708 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 45.2 m-85 -56.33 -31.83 64.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' PHE . 31.4 mttt -39.26 -65.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.097 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -45.29 -38.71 5.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -56.61 -55.73 30.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.553 ' CE1' HD12 ' A' ' 27' ' ' ILE . 79.9 t80 -57.86 -36.74 72.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 18' ' ' LEU . 8.5 t -56.38 -52.13 65.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -37.43 -53.13 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CB ' HD13 ' A' ' 27' ' ' ILE . 51.9 m-85 -72.63 -46.86 51.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 17.4 t0 -80.81 92.37 6.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -67.28 -58.08 5.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -49.18 -23.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 59.51 15.58 32.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 36.8 p-10 -61.29 -32.01 71.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.41 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 127.29 -0.09 6.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 81.8 p -130.01 152.07 49.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.568 HD13 ' CB ' ' A' ' 19' ' ' PHE . 94.3 mt -119.45 102.88 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.535 ' OG1' ' N ' ' A' ' 29' ' ' THR . 7.4 t -76.61 -152.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.535 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.2 p -88.14 -45.35 10.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -40.89 97.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -71.76 -17.97 62.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.872 HD23 ' CD2' ' A' ' 48' ' ' LEU . 1.1 tp -91.39 -29.91 16.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.07 6.94 81.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -93.93 -64.17 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.78 . . . . 0.0 110.404 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.472 ' N ' HG22 ' A' ' 34' ' ' THR . 2.1 t -46.3 -25.85 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -69.71 -42.16 74.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' THR . 71.3 mtm180 -53.42 -21.66 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.247 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 m -109.79 30.14 6.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.62 20.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.09 20.77 75.12 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -120.71 173.63 7.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 0.737 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 175.55 66.53 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.07 33.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.5 p -70.5 161.14 31.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.425 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' HA ' HD12 ' A' ' 48' ' ' LEU . 1.2 mt-10 -54.54 -25.85 28.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.08 -48.84 56.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.24 -58.34 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.872 ' CD2' HD23 ' A' ' 32' ' ' LEU . 7.6 mt -45.23 -59.75 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -39.65 -49.17 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.48 -41.57 98.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' LEU . 9.1 mtp -66.86 -56.93 8.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.431 HG23 HG12 ' A' ' 63' ' ' ILE . 1.3 mt -44.55 -46.56 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -49.81 -37.87 32.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 51' ' ' MET . 15.3 mt-10 -59.54 -35.05 73.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.822 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -113.11 32.28 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.251 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.28 100.47 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.23 -12.04 26.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.483 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -76.64 -40.83 47.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.06 32.42 26.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.483 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 35.1 p-10 -80.37 -18.34 49.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.779 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.65 -29.13 12.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.41 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 1.4 m -103.08 168.07 9.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 110.404 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.631 HD11 HG23 ' A' ' 55' ' ' VAL . 1.5 mm -114.46 141.73 29.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.623 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 25.8 m-20 -114.04 -173.02 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.685 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 7.9 t80 -72.94 -44.79 8.51 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.98 -9.55 20.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.66 ' O ' HG22 ' A' ' 70' ' ' THR . 1.2 mm-40 -99.12 -29.22 12.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.541 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -91.76 -35.65 14.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.477 HD21 HG13 ' A' ' 9' ' ' ILE . 12.4 mt -40.46 -38.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.822 ' CG2' HG12 ' A' ' 55' ' ' VAL . 2.1 t -58.97 -47.22 85.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -45.34 -58.96 2.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.541 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.1 mmt -55.05 -38.63 68.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.26 -45.54 76.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.68 57.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.493 ' O ' ' HB2' ' A' ' 1' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.513 0.197 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 0' ' ' MET . . . 175.31 93.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 t0 177.58 117.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -123.95 86.43 2.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.733 ' C ' HG23 ' A' ' 5' ' ' THR . 0.6 OUTLIER -94.61 -165.54 1.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.733 HG23 ' C ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER 67.43 -148.95 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.388 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.488 ' N ' ' OG1' ' A' ' 5' ' ' THR . 15.6 mt-10 -34.17 -58.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.361 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 6' ' ' GLU . 3.8 mm-40 -37.3 -43.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -63.88 -54.17 39.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.483 HG13 HD21 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -48.11 -48.88 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.452 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -38.63 -37.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -67.92 -53.14 28.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.668 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 8.1 m-85 -49.02 -28.65 4.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 1.3 mttm -39.77 -60.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -49.61 -40.15 38.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -52.16 -56.06 16.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.597 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 63.7 t80 -53.56 -32.93 52.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.7 m -57.52 -51.36 69.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -38.05 -58.95 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.677 ' CB ' HD13 ' A' ' 27' ' ' ILE . 66.0 m-85 -67.58 -46.25 73.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.429 ' HB2' HG12 ' A' ' 27' ' ' ILE . 5.5 t0 -79.63 94.59 5.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -88.58 9.43 24.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -105.94 -18.14 14.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.18 15.22 13.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 111.067 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 35.1 p-10 -74.53 -37.57 63.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.774 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 125.51 2.59 7.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.554 1.159 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.456 ' HB ' ' CG2' ' A' ' 62' ' ' THR . 19.5 p -132.3 146.01 51.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 110.374 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.677 HD13 ' CB ' ' A' ' 19' ' ' PHE . 90.0 mt -114.91 102.42 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 29' ' ' THR . 9.7 t -76.0 -152.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.504 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.5 p -86.74 -45.66 10.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.373 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -59.81 -48.33 82.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -62.61 -26.09 68.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.81 HD23 ' CD2' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -83.72 -37.99 21.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.49 7.08 58.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.727 HG23 HH21 ' A' ' 37' ' ' ARG . 0.7 OUTLIER -92.28 -69.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.403 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.666 ' N ' HG22 ' A' ' 34' ' ' THR . 2.6 t -46.39 -25.5 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' GLN . 0.9 OUTLIER -59.16 -43.99 92.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.727 HH21 HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -76.73 -0.51 23.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 m -94.99 -14.63 24.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.8 -31.49 6.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.11 43.61 0.18 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' MET . 21.4 mt-30 -133.81 175.15 9.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.427 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 11.0 t-20 176.88 64.02 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.01 159.31 41.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.9 p -73.09 173.36 9.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -71.95 -16.75 62.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.93 -45.8 23.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.91 -60.49 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.81 ' CD2' HD23 ' A' ' 32' ' ' LEU . 8.3 mt -42.51 -59.04 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -42.45 -42.44 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -39.1 84.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' LEU . 6.4 mtt -69.37 -56.62 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.779 HG23 HG12 ' A' ' 63' ' ' ILE . 5.8 mt -44.68 -46.52 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -50.76 -41.96 57.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 51' ' ' MET . 12.0 mt-10 -57.01 -34.48 68.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.84 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -111.49 30.11 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -154.05 102.25 2.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.92 -11.27 26.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -76.89 -40.07 48.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.42 32.5 25.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.46 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 31.2 p-10 -81.06 -17.81 48.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.4 -29.45 11.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.456 ' CG2' ' HB ' ' A' ' 26' ' ' THR . 1.5 m -101.81 168.23 9.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.779 HG12 HG23 ' A' ' 52' ' ' ILE . 1.2 mm -115.34 131.73 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.651 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 27.0 m-20 -103.55 178.79 4.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.747 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 24.3 t80 -66.15 -44.45 59.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.747 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -75.08 -9.84 20.83 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.452 1.764 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.618 ' O ' HG22 ' A' ' 70' ' ' THR . 1.3 mm-40 -99.95 -28.94 12.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -89.89 -32.8 16.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.483 HD21 HG13 ' A' ' 9' ' ' ILE . 9.9 mt -41.62 -44.59 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.84 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.7 t -52.54 -46.97 66.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -47.02 -53.45 12.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.499 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.8 mmt -53.81 -50.87 65.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.75 -50.93 9.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 74' ' ' ARG . 24.8 mtm105 -92.09 48.63 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.669 ' O ' ' HB2' ' A' ' 1' ' ' ALA . 49.0 mtp . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.501 0.191 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 0' ' ' MET . . . 165.38 175.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -166.61 74.36 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.25 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.67 140.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.491 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.4 OUTLIER -74.02 -177.63 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.491 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -153.75 -165.09 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.422 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.463 ' O ' HG22 ' A' ' 9' ' ' ILE . 48.2 mt-10 -43.69 -33.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -38.49 -37.97 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.473 ' OE1' ' CB ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -74.8 -46.26 38.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.604 HD11 HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -55.81 -39.57 56.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.36 -40.23 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -66.39 -42.01 88.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.674 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 56.3 m-85 -64.99 -34.46 78.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.534 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 14.8 mttt -40.67 -64.14 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -45.11 -38.92 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -58.22 -55.89 29.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.634 ' CD1' ' CD1' ' A' ' 27' ' ' ILE . 48.3 t80 -57.74 -31.68 66.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER -61.92 -49.02 77.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 109.99 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.5 -66.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.555 ' CB ' HD13 ' A' ' 27' ' ' ILE . 35.1 m-85 -56.37 -47.53 78.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.499 ' CG ' ' N ' ' A' ' 21' ' ' LYS . 1.8 t70 -68.78 169.4 11.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.499 ' N ' ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -178.28 37.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -137.09 10.64 3.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 37.49 29.05 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 22' ' ' ASP . 5.4 p-10 -98.89 -33.55 10.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.24 21.74 7.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -133.77 160.67 36.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 110.383 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.634 ' CD1' ' CD1' ' A' ' 16' ' ' PHE . 67.8 mt -129.83 86.91 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.628 HG22 ' OE2' ' A' ' 31' ' ' GLU . 8.8 t -63.83 -154.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.408 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.52 ' N ' ' OG1' ' A' ' 28' ' ' THR . 3.4 p -89.29 -57.49 2.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.23 -33.47 5.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.628 ' OE2' HG22 ' A' ' 28' ' ' THR . 33.5 mt-10 -76.98 -34.74 57.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.815 ' HB3' HD22 ' A' ' 48' ' ' LEU . 2.1 tp -72.05 -27.32 62.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.02 -2.31 64.55 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.82 -61.31 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.435 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 2.2 t -49.67 -27.79 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -44.14 85.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -55.49 -20.74 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 t -82.7 -7.2 59.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.52 9.6 15.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.47 23.58 67.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -109.61 179.91 4.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.4 OUTLIER 176.58 72.21 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 139.91 24.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.773 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.6 p -59.23 161.19 5.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.346 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.84 -21.56 61.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.13 -45.21 61.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.79 -60.08 4.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.815 HD22 ' HB3' ' A' ' 32' ' ' LEU . 7.8 mt -45.99 -59.21 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -40.68 -44.94 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.39 -42.51 96.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.8 mtt -66.4 -58.15 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.825 HG23 HG12 ' A' ' 63' ' ' ILE . 6.3 mt -43.65 -48.11 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -48.62 -45.85 38.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -53.06 -36.0 60.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.803 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -111.16 33.38 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -156.33 97.74 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.51 -11.08 32.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.474 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -77.92 -36.75 49.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.48 33.47 38.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.441 1.088 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.474 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 46.6 p-10 -78.71 -20.98 48.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 0.718 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 103.12 -28.26 16.52 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.424 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 10.3 p -106.55 170.29 8.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.825 HG12 HG23 ' A' ' 52' ' ' ILE . 1.1 mm -114.76 138.39 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.606 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 7.0 m-20 -106.5 -169.53 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.693 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 10.7 t80 -79.06 -44.2 1.74 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.693 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.5 Cg_endo -74.98 -13.91 21.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.459 1.768 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.609 ' O ' HG22 ' A' ' 70' ' ' THR . 16.4 mt-10 -94.76 -24.9 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.0 OUTLIER -93.46 -35.57 12.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.604 HD13 HD11 ' A' ' 9' ' ' ILE . 10.8 mt -41.7 -38.59 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.803 ' CG2' HG12 ' A' ' 55' ' ' VAL . 2.1 t -58.44 -45.37 88.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -46.49 -50.69 16.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 111.048 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.47 -43.54 98.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.36 -44.83 62.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 75' ' ' LYS . 4.3 mtp85 -97.66 48.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 74' ' ' ARG . 7.9 mtpt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.497 0.189 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -163.57 -177.87 5.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 3' ' ' GLN . 0.9 OUTLIER -154.24 110.15 3.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.493 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.7 OUTLIER 161.0 126.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.357 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.473 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.5 OUTLIER -57.76 179.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.473 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -151.88 -164.76 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.384 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 9' ' ' ILE . 30.8 mt-10 -44.53 -34.24 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' GLU . 2.3 mt-10 -38.09 -39.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' OE1' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -72.65 -46.18 55.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.26 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.546 HG13 HD21 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -55.75 -42.26 69.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -45.08 -38.63 5.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -66.41 -37.67 85.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.521 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 10.8 m-85 -72.86 -34.81 67.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 3.1 mtmm -37.91 -55.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -54.52 -44.33 72.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -49.82 -55.71 13.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.618 ' CE1' HD12 ' A' ' 27' ' ' ILE . 67.3 t80 -52.39 -32.82 40.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.5 t -60.24 -52.65 64.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -38.11 -58.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.498 ' CB ' HD13 ' A' ' 27' ' ' ILE . 38.4 m-85 -66.48 -42.87 86.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -79.17 91.76 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.92 21.9 8.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -118.89 -6.99 10.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.48 73.12 0.22 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 32.0 p-10 -137.53 -43.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 136.94 -7.13 3.8 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 11.4 p -121.79 165.94 15.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.414 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.618 HD12 ' CE1' ' A' ' 16' ' ' PHE . 90.0 mt -132.3 94.94 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.5 ' OG1' ' N ' ' A' ' 29' ' ' THR . 9.9 t -71.12 -154.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.5 ' N ' ' OG1' ' A' ' 28' ' ' THR . 12.5 p -87.04 -51.1 6.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.381 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.51 -36.43 66.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -76.57 -22.28 54.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.624 HD22 HG13 ' A' ' 52' ' ' ILE . 4.1 tp -83.19 -28.49 29.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 36' ' ' MET . . . -87.08 -38.05 8.06 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.539 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.7 OUTLIER -42.09 -63.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.777 . . . . 0.0 110.38 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.539 ' N ' HG22 ' A' ' 34' ' ' THR . 2.4 t -46.97 -40.7 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -67.41 -40.55 85.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.983 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.546 ' HD3' HD22 ' A' ' 42' ' ' ASN . 2.3 mmt180 -46.86 -33.82 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -112.66 42.32 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -147.68 35.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 57.34 16.83 22.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.493 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 31.3 mt-30 -120.16 175.65 5.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 110.338 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.546 HD22 ' HD3' ' A' ' 37' ' ' ARG . 0.5 OUTLIER 177.99 64.68 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.4 Cg_endo -74.95 125.89 9.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.7 p -50.95 175.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.374 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.77 -14.93 62.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.72 -45.5 15.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.97 -58.48 8.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.547 HD22 ' HB3' ' A' ' 32' ' ' LEU . 9.2 mt -44.26 -59.11 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -41.42 -46.05 3.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -42.13 98.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 48' ' ' LEU . 8.4 mtt -65.02 -49.32 70.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.624 HG13 HD22 ' A' ' 32' ' ' LEU . 1.7 mt -61.04 -25.79 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -82.36 6.97 15.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 51' ' ' MET . 3.7 mt-10 -104.77 -21.27 13.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.902 HG12 HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -111.72 -44.27 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 21.2 t70 -75.71 105.51 6.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.27 -13.93 27.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.464 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -75.43 -36.22 60.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.89 32.27 33.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.1 . . . . 0.0 110.98 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.464 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 30.4 p-10 -79.48 -19.87 48.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.18 -37.25 3.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.123 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 m -97.5 165.72 11.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 110.415 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.589 HD11 HG23 ' A' ' 55' ' ' VAL . 1.8 mm -114.83 137.47 48.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.641 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.2 m-20 -110.17 -169.38 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.663 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 5.4 t80 -74.28 -44.07 5.93 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.663 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.94 -11.27 21.58 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' A' ' 64' ' ' ASP . 11.6 mt-10 -99.6 -21.2 15.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.54 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -98.39 -32.56 11.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.546 HD21 HG13 ' A' ' 9' ' ' ILE . 13.8 mt -46.49 -29.93 1.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.902 HG23 HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -68.4 -39.18 81.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.377 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -55.96 -41.22 74.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.54 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.3 mmt -70.49 -41.29 72.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.73 91.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.57 63.39 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.508 0.194 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -177.14 174.85 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 3' ' ' GLN . 22.5 t70 -111.65 101.13 9.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.404 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.8 OUTLIER 167.37 133.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.451 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.8 OUTLIER -52.78 -176.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.451 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 1.1 p -151.17 -162.99 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 7' ' ' GLU . 41.4 mt-10 -48.64 -32.35 8.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 6' ' ' GLU . 1.6 mt-10 -37.85 -41.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.433 ' CD ' HD13 ' A' ' 4' ' ' LEU . 0.5 OUTLIER -76.03 -48.58 20.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.646 HD11 HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -54.23 -44.09 63.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.21 -38.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.58 -43.8 79.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.641 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 58.6 m-85 -62.28 -33.69 75.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 19.4 mttm -39.93 -62.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -47.1 -39.33 13.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -58.25 -56.87 16.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.601 ' CD1' ' CD1' ' A' ' 27' ' ' ILE . 28.7 t80 -50.69 -32.25 18.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.8 t -62.45 -53.49 54.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.948 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.504 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -35.85 -47.13 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.6 ' CB ' HD13 ' A' ' 27' ' ' ILE . 50.5 m-85 -83.58 -49.22 9.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.411 ' HB2' HG12 ' A' ' 27' ' ' ILE . 1.7 t70 -73.37 110.99 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.42 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -145.11 61.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -146.98 -47.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.435 ' N ' ' CG ' ' A' ' 22' ' ' ASP . . . 110.4 92.89 2.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.418 ' H ' ' H ' ' A' ' 25' ' ' GLY . 17.0 p30 167.34 24.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.749 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.418 ' H ' ' H ' ' A' ' 24' ' ' ASP . . . 40.48 39.04 1.6 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.511 HG23 ' OG1' ' A' ' 62' ' ' THR . 0.5 OUTLIER -143.34 156.81 44.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.384 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.601 ' CD1' ' CD1' ' A' ' 16' ' ' PHE . 77.8 mt -122.88 80.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' A' ' 29' ' ' THR . 9.8 t -58.73 -153.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.449 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.498 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.1 p -84.8 -61.92 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.43 -54.22 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.42 ' OE2' ' N ' ' A' ' 21' ' ' LYS . 49.1 mt-10 -56.71 -42.87 79.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.639 HD23 ' CD2' ' A' ' 48' ' ' LEU . 1.1 tp -65.91 -24.02 66.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.94 18.34 55.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.3 -44.5 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.754 . . . . 0.0 110.397 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 2.2 t -67.61 -25.92 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.25 -42.46 68.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 111.046 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -78.33 -2.42 38.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t -97.78 10.16 40.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.95 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.81 -72.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.28 34.64 0.08 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -132.35 -179.03 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 0.741 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 176.04 71.41 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 155.77 43.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.2 p -78.88 154.74 29.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.38 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.34 -22.84 1.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.352 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.14 -45.01 51.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.365 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.36 -59.9 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.639 ' CD2' HD23 ' A' ' 32' ' ' LEU . 6.2 mt -43.03 -57.91 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -43.02 -42.92 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -37.21 81.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 48' ' ' LEU . 7.5 mtp -72.49 -52.51 15.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.509 HG13 HD22 ' A' ' 32' ' ' LEU . 1.7 mt -46.83 -45.64 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -51.43 -32.62 27.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 51' ' ' MET . 29.2 mt-10 -63.15 -33.3 75.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.863 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -117.16 33.15 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.252 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.16 100.81 2.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.5 -9.1 30.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.504 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -79.32 -36.93 38.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.24 34.87 39.72 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.504 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 52.9 p-10 -79.85 -20.42 46.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.492 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 104.48 -28.56 14.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.511 ' OG1' HG23 ' A' ' 26' ' ' THR . 6.1 t -108.34 172.29 6.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 110.397 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.675 ' CD1' HG23 ' A' ' 55' ' ' VAL . 1.5 mm -114.98 145.32 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.596 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 2.2 m-20 -114.19 -169.98 1.63 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.723 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 12.4 t80 -77.44 -44.81 2.62 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.723 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.03 -13.19 21.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.801 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.625 ' O ' HG22 ' A' ' 70' ' ' THR . 1.1 mm-40 -94.37 -27.72 15.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -90.72 -36.87 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.97 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.646 HD13 HD11 ' A' ' 9' ' ' ILE . 8.9 mt -39.42 -43.88 1.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.863 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.3 t -51.84 -50.99 59.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.403 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -42.71 -56.7 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.473 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.4 mmt -54.77 -41.93 71.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 70' ' ' THR . . . -47.13 -44.33 21.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -104.71 60.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.473 0.178 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -47.65 98.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -130.34 156.31 44.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.369 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 168.03 143.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.567 ' C ' HG23 ' A' ' 5' ' ' THR . 0.3 OUTLIER -64.77 -172.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.567 HG23 ' C ' ' A' ' 4' ' ' LEU . 1.3 p 60.38 -149.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' N ' ' OG1' ' A' ' 5' ' ' THR . 9.6 mt-10 -37.35 -63.82 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.4 mm-40 -39.0 -38.39 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -62.55 -53.46 54.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -48.01 -48.19 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.44 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -40.28 -38.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -72.19 -46.31 56.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.567 ' CD2' HD23 ' A' ' 69' ' ' LEU . 20.8 m-85 -52.36 -30.48 29.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' PHE . 7.7 mttm -40.31 -55.34 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -54.0 -42.68 69.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -51.28 -54.59 24.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.689 ' CE1' ' CD1' ' A' ' 27' ' ' ILE . 47.4 t80 -51.78 -33.64 36.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.3 m -61.63 -52.12 65.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.986 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -36.11 -57.11 0.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.692 ' CE1' HG11 ' A' ' 35' ' ' VAL . 4.0 m-30 -67.87 -45.56 74.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.402 ' HB2' HG12 ' A' ' 27' ' ' ILE . 2.2 t70 -73.47 85.93 1.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.73 19.93 4.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -116.28 -10.53 11.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 44.58 74.76 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -139.62 -43.91 0.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 0.779 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.49 -8.98 3.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 7.0 p -120.64 169.74 10.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 0.717 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.689 ' CD1' ' CE1' ' A' ' 16' ' ' PHE . 71.3 mt -135.62 107.86 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.668 ' O ' HD11 ' A' ' 52' ' ' ILE . 4.8 t -80.92 -149.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.583 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.1 p -90.85 -52.8 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -56.78 -31.65 64.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.42 ' H ' HG23 ' A' ' 28' ' ' THR . 57.4 mt-10 -80.61 -17.16 52.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.71 HD23 HD23 ' A' ' 48' ' ' LEU . 1.1 tp -91.38 -30.56 16.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.07 1.62 70.67 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.23 -34.33 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.692 HG11 ' CE1' ' A' ' 19' ' ' PHE . 2.5 t -83.78 -25.16 7.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -35.48 69.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.74 13.26 7.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.97 -37.08 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.35 -76.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.14 30.7 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.465 1.103 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -127.88 -176.68 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.431 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 33.2 t30 177.1 63.79 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.02 139.8 24.66 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.42 ' H ' HG23 ' A' ' 44' ' ' THR . 35.8 p -58.12 178.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.14 -20.32 60.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.83 -46.32 25.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -56.78 -57.48 12.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.238 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.71 HD23 HD23 ' A' ' 32' ' ' LEU . 7.6 mt -46.72 -60.65 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' LEU . 15.6 tp60 -37.44 -40.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.462 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 0.3 OUTLIER -71.81 -51.12 24.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.458 ' O ' HG22 ' A' ' 55' ' ' VAL . 22.2 mtt -52.16 -33.85 42.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.822 HG23 HG12 ' A' ' 63' ' ' ILE . 2.4 mt -70.67 -51.17 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.544 ' OD1' ' C ' ' A' ' 53' ' ' ASN . 21.1 p30 -76.31 -0.16 21.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 1.2 mm-40 -84.46 -19.1 33.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.622 HG23 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -118.73 -43.72 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 109.346 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -66.12 122.41 17.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.11 -6.88 17.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.491 ' OD2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -81.33 -36.49 29.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.91 30.92 45.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.491 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 43.2 p-10 -72.96 -22.37 60.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.31 -26.88 18.87 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.8 p -110.76 178.45 4.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 0.749 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.822 HG12 HG23 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -119.98 137.86 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.613 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 5.3 m-20 -101.91 -169.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.693 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 13.4 t80 -78.13 -44.06 2.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 1.009 ' HA ' HD12 ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.03 -25.67 11.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.441 1.758 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.521 ' O ' ' CG2' ' A' ' 70' ' ' THR . 26.8 mt-10 -81.84 -21.59 37.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -91.79 -34.38 14.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.009 HD12 ' HA ' ' A' ' 66' ' ' PRO . 4.9 mt -43.37 -44.03 5.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -52.8 -46.47 67.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.424 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -44.5 48.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -42.33 95.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.1 -47.06 81.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -108.38 60.04 0.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.471 0.176 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -106.96 178.13 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -139.97 179.88 6.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 63.46 125.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.598 HD13 ' HG3' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -62.93 178.77 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.483 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -152.87 -161.92 1.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.369 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 9' ' ' ILE . 51.7 mt-10 -45.16 -36.1 3.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -38.04 -38.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.598 ' HG3' HD13 ' A' ' 4' ' ' LEU . 7.4 mm-40 -73.31 -45.7 53.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.53 HD11 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -56.66 -47.47 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.427 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -39.94 -39.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -69.46 -46.39 66.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.735 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 7.5 m-85 -56.48 -30.06 62.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 111.047 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 15.8 mttp -39.7 -64.07 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -46.17 -38.66 8.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -52.48 -55.43 22.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.54 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 66.4 t80 -53.47 -36.37 61.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.4 t -57.16 -52.24 66.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.961 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -36.89 -45.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.62 ' CB ' HD13 ' A' ' 27' ' ' ILE . 43.0 m-85 -83.8 -45.64 13.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.497 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 19.2 t0 -83.18 87.88 6.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -58.62 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.41 ' OD2' ' CD ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -49.29 -23.29 1.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 59.87 15.45 35.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 41.8 p-10 -59.35 -33.94 71.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.776 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.458 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 128.04 -0.59 6.63 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 47.3 p -132.23 146.33 51.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 110.387 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.62 HD13 ' CB ' ' A' ' 19' ' ' PHE . 87.4 mt -113.19 101.96 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.65 HG22 ' HG3' ' A' ' 31' ' ' GLU . 6.5 t -74.97 -152.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.362 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.549 ' N ' ' OG1' ' A' ' 28' ' ' THR . 25.1 p -89.3 -49.63 6.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.398 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -30.9 65.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.65 ' HG3' HG22 ' A' ' 28' ' ' THR . 1.4 mm-40 -80.43 -25.17 39.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.837 ' HB3' HD22 ' A' ' 48' ' ' LEU . 2.6 tp -80.97 -20.1 42.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.16 23.13 32.86 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.428 ' HA ' ' NE ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -111.41 -30.89 7.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 110.355 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 2.3 t -82.95 -25.72 8.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -42.93 65.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 34' ' ' THR . 6.1 ptp180 -58.42 -17.07 17.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 m -92.4 6.27 47.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.988 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.8 1.98 8.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.94 28.03 22.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.67 -178.94 3.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 110.362 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.8 t30 175.69 72.17 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 138.44 22.98 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.8 p -60.51 156.53 16.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.385 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -52.86 -28.39 22.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.84 -44.7 80.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -58.77 -61.77 2.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.837 HD22 ' HB3' ' A' ' 32' ' ' LEU . 8.8 mt -45.03 -59.27 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -41.46 -42.43 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.281 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -40.73 82.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' LEU . 10.1 mtp -67.28 -58.46 4.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.782 HG23 HG12 ' A' ' 63' ' ' ILE . 5.9 mt -43.25 -47.45 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -50.66 -41.9 55.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' MET . 11.9 mt-10 -58.08 -30.82 66.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.975 HG12 HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -115.11 32.55 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.35 104.48 2.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.41 -14.35 22.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.483 ' OD2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -73.11 -44.08 60.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.32 30.19 17.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.483 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 50.3 p-10 -81.07 -17.99 48.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.466 ' O ' HG21 ' A' ' 52' ' ' ILE . . . 97.7 -30.72 8.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.413 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 2.6 p -98.41 167.61 10.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.782 HG12 HG23 ' A' ' 52' ' ' ILE . 1.1 mm -116.09 130.89 70.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.634 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.6 m-20 -102.11 -174.59 2.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.72 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 7.9 t80 -68.5 -45.16 36.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -74.99 -9.23 20.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.582 ' O ' HG22 ' A' ' 70' ' ' THR . 1.5 mm-40 -99.89 -27.54 13.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.581 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -93.18 -31.33 14.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.53 HD22 HD11 ' A' ' 9' ' ' ILE . 12.8 mt -46.46 -31.23 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.975 HG23 HG12 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -69.57 -37.42 76.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -54.88 -59.45 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.581 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -52.54 -39.65 61.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.02 -55.75 29.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -117.93 71.37 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 1.016 ' OXT' ' CG ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.9 mtm . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.502 0.191 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -144.74 -160.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 3' ' ' GLN . 29.5 p-10 -123.44 166.06 16.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 1.1 mt-30 163.83 130.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.501 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.3 OUTLIER -78.92 177.08 9.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.501 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -155.0 -164.24 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 9' ' ' ILE . 64.2 mt-10 -42.93 -32.25 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.49 -40.89 1.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.45 -43.33 99.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.585 HD11 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -55.81 -47.93 78.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.431 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -42.38 -36.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -70.44 -43.02 70.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.624 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 4.0 m-85 -61.86 -32.17 72.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.551 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 72.8 mttt -38.25 -59.18 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -51.04 -42.34 60.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -49.42 -53.33 23.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.522 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 77.0 t80 -53.05 -36.91 61.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -54.55 -52.57 61.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.982 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.469 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -35.79 -51.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.59 ' CB ' HD13 ' A' ' 27' ' ' ILE . 67.8 m-85 -76.53 -42.84 41.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.51 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 24.8 t0 -86.66 93.12 9.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -60.16 3.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -49.47 -24.23 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 61.68 16.95 52.87 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 35.7 p-10 -60.75 -33.67 73.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 130.23 -11.79 5.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.408 HG22 ' OD1' ' A' ' 64' ' ' ASP . 67.9 p -121.08 146.55 46.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.59 HD13 ' CB ' ' A' ' 19' ' ' PHE . 78.5 mt -113.86 105.92 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.516 ' OG1' ' N ' ' A' ' 29' ' ' THR . 9.3 t -76.77 -152.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.358 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.516 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.9 p -83.06 -57.69 3.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 34' ' ' THR . 3.5 tttt -51.72 -55.7 18.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -53.92 -20.68 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.786 HD23 ' CD2' ' A' ' 48' ' ' LEU . 1.7 tp -88.02 -42.99 12.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.7 -10.83 85.98 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.524 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -71.64 -67.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 110.431 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.524 ' N ' HG22 ' A' ' 34' ' ' THR . 2.1 t -45.26 -31.63 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -44.92 89.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -69.21 -26.48 64.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.3 p -88.0 3.51 48.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.26 -78.52 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.39 34.97 0.08 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -137.21 -175.66 4.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 t30 176.99 65.54 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.553 ' HG2' HD21 ' A' ' 48' ' ' LEU . 18.1 Cg_endo -75.08 144.0 29.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.456 1.767 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.5 p -70.78 162.6 28.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -55.84 -19.2 10.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.86 -45.93 19.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.45 -61.44 2.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.786 ' CD2' HD23 ' A' ' 32' ' ' LEU . 9.4 mt -41.72 -57.82 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 48' ' ' LEU . 2.9 tp60 -38.06 -43.85 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.38 -44.2 68.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 48' ' ' LEU . 13.0 mtt -61.72 -38.54 88.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.572 HG23 HG12 ' A' ' 63' ' ' ILE . 1.8 mt -65.44 -50.74 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -62.83 -40.31 97.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -40.7 -34.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.53 HG23 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -111.91 -49.27 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 1.6 t70 -62.56 95.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.41 -8.55 50.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.469 ' OD2' ' CB ' ' A' ' 60' ' ' ASN . 4.8 p-10 -77.87 -26.89 49.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 53.95 38.24 59.84 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.445 1.09 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.469 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 2.8 p-10 -102.63 -5.01 24.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 0.799 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.71 ' C ' HG23 ' A' ' 62' ' ' THR . . . 97.55 143.4 14.84 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.71 HG23 ' C ' ' A' ' 61' ' ' GLY . 1.0 OUTLIER 65.66 172.56 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 110.421 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.572 HG12 HG23 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -123.71 135.17 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.642 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 12.7 m-20 -103.39 -173.34 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.701 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 5.8 t80 -66.4 -45.01 58.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.96 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.701 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.96 -9.07 20.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.492 ' HB2' HG23 ' A' ' 63' ' ' ILE . 3.0 mm-40 -100.84 -27.45 13.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.574 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -93.66 -30.05 15.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.585 HD22 HD11 ' A' ' 9' ' ' ILE . 11.0 mt -46.0 -32.8 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -69.63 -38.29 77.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -52.81 -53.17 52.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.574 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -57.98 -43.99 86.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.51 -46.75 70.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -111.87 62.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.473 ' O ' ' HB2' ' A' ' 1' ' ' ALA . 3.1 tmm? . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.49 0.186 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 0' ' ' MET . . . 176.84 166.18 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -88.31 166.83 14.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 78.07 157.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.79 -171.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 p -76.44 155.6 33.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.8 -51.14 68.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -39.35 -37.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.449 ' OE1' ' CA ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -76.23 -50.47 14.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.645 HD11 HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -54.06 -43.34 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -42.63 -39.95 2.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -65.56 -41.17 93.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.557 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 49.4 m-85 -66.53 -35.9 81.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.575 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 13.3 mttt -39.4 -58.38 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -50.83 -41.62 57.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -55.91 -54.99 38.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.579 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 41.1 t80 -53.72 -31.53 48.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -61.33 -50.85 71.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -39.48 -61.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.689 ' CB ' HD13 ' A' ' 27' ' ' ILE . 49.6 m-85 -64.73 -45.81 84.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 3.7 t70 -76.87 84.33 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.96 22.52 5.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -115.73 -13.88 11.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.02 79.81 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.568 ' OD2' HG22 ' A' ' 26' ' ' THR . 7.0 p-10 -146.85 -41.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 0.817 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 128.06 6.69 4.81 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.142 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.568 HG22 ' OD2' ' A' ' 24' ' ' ASP . 0.7 OUTLIER -137.54 152.93 49.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.405 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.689 HD13 ' CB ' ' A' ' 19' ' ' PHE . 71.4 mt -118.87 102.61 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.616 HG22 ' CD ' ' A' ' 31' ' ' GLU . 6.7 t -74.81 -152.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.423 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.549 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.1 p -89.18 -51.64 5.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 110.412 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.59 -31.76 66.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.616 ' CD ' HG22 ' A' ' 28' ' ' THR . 50.0 mt-10 -79.61 -24.47 41.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.723 HD23 HD22 ' A' ' 48' ' ' LEU . 1.9 tp -82.26 -27.59 32.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.92 0.5 60.69 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.04 -39.53 21.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.357 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -73.97 -25.12 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.02 -39.89 60.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -78.48 -9.24 59.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.14 -11.6 57.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.048 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.04 -77.25 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.56 31.99 0.1 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -125.05 -176.49 3.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 110.245 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.5 t30 176.09 70.29 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HG2' HD21 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.99 124.08 8.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.483 1.78 . . . . 0.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 44' ' ' THR . 60.7 p -50.27 156.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -52.45 -30.57 30.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.49 -44.05 92.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.7 -62.95 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.723 HD22 HD23 ' A' ' 32' ' ' LEU . 12.1 mt -44.32 -59.17 2.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -40.79 -44.68 2.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -39.63 88.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.513 ' N ' ' O ' ' A' ' 48' ' ' LEU . 59.1 mtp -70.0 -54.67 12.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.539 ' HA ' HD11 ' A' ' 63' ' ' ILE . 1.2 mt -45.54 -45.65 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -52.55 -36.21 55.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 51' ' ' MET . 10.1 mt-10 -63.07 -31.22 72.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.815 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -115.89 34.26 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -158.66 95.29 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.89 -8.42 49.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -80.6 -35.66 33.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.52 34.49 49.76 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 40.9 p-10 -77.11 -21.46 54.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.13 -29.12 11.1 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.442 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 43.7 p -109.59 -178.45 3.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 0.738 . . . . 0.0 110.377 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.673 ' CD1' HG23 ' A' ' 55' ' ' VAL . 1.2 mm -121.49 145.64 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.6 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.2 m-20 -113.27 -170.14 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.704 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 9.1 t80 -76.37 -44.99 3.5 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.704 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.97 -13.0 21.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.603 ' O ' HG22 ' A' ' 70' ' ' THR . 0.9 OUTLIER -95.26 -26.7 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.548 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -91.99 -38.01 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.645 HD13 HD11 ' A' ' 9' ' ' ILE . 11.1 mt -38.63 -42.02 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.815 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.2 t -56.31 -50.03 72.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.444 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -42.98 -52.0 5.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.548 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -58.37 -48.98 78.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.46 -44.84 46.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -116.83 68.76 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.555 0.217 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -155.58 91.74 1.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.43 ' O ' ' NE2' ' A' ' 3' ' ' GLN . 0.4 OUTLIER 166.5 142.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.43 ' NE2' ' O ' ' A' ' 2' ' ' ASP . 55.4 mm-40 -141.81 93.65 2.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.732 ' C ' HG23 ' A' ' 5' ' ' THR . 0.8 OUTLIER -96.35 -156.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.732 HG23 ' C ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER 67.35 -149.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.473 ' N ' ' OG1' ' A' ' 5' ' ' THR . 32.0 mt-10 -33.38 -53.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' GLU . 2.1 mm-40 -37.24 -43.29 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.1 tp-100 -65.52 -53.2 45.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.586 HD11 HD22 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -49.31 -48.66 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . -36.93 -39.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -68.15 -52.72 31.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.583 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 37.8 m-85 -45.75 -26.26 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -41.87 -59.24 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.63 -44.64 63.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -47.35 -55.86 8.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.562 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 58.3 t80 -53.95 -34.07 58.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -59.17 -50.29 74.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -36.77 -53.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.621 ' CB ' HD13 ' A' ' 27' ' ' ILE . 75.4 m-85 -75.14 -44.61 46.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.498 ' HB2' HG12 ' A' ' 27' ' ' ILE . 22.0 t0 -82.67 87.96 6.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -63.04 -59.15 5.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.64 -22.57 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.47 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 56.99 16.38 17.9 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 p30 -60.52 -27.33 67.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.6 7.98 8.57 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 12.1 p -139.7 149.79 44.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 110.424 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.621 HD13 ' CB ' ' A' ' 19' ' ' PHE . 82.4 mt -116.77 108.09 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.37 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.586 ' OG1' ' N ' ' A' ' 29' ' ' THR . 5.0 t -79.77 -150.84 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.394 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.586 ' N ' ' OG1' ' A' ' 28' ' ' THR . 15.8 p -89.62 -47.87 7.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.456 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -61.51 -41.09 96.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.544 ' OE2' HG22 ' A' ' 28' ' ' THR . 41.3 mt-10 -69.24 -21.89 63.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.788 HD23 ' CD2' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -86.35 -37.64 18.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.27 6.44 76.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -90.35 -61.94 1.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 110.422 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.412 ' N ' HG22 ' A' ' 34' ' ' THR . 2.1 t -50.47 -25.5 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -29.8 68.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.458 ' NH2' ' CG ' ' A' ' 42' ' ' ASN . 1.3 mmt180 -50.72 -52.79 37.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.6 m -52.52 -29.85 27.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -92.87 36.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 38.03 29.7 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' LEU . 10.3 mt-30 -105.89 -178.29 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 0.739 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.458 ' CG ' ' NH2' ' A' ' 37' ' ' ARG . 14.7 t-20 170.17 74.11 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HG2' HD21 ' A' ' 48' ' ' LEU . 18.2 Cg_endo -75.04 130.82 13.58 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.82 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.2 p -50.2 155.82 0.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.447 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -52.41 -34.81 49.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.29 98.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -61.77 2.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.788 ' CD2' HD23 ' A' ' 32' ' ' LEU . 8.0 mt -45.59 -57.9 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -42.74 -41.75 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.251 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -39.67 82.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.2 mtt -67.89 -55.82 11.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.876 HG23 HG12 ' A' ' 63' ' ' ILE . 5.1 mt -44.66 -46.63 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -51.41 -50.29 59.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -51.42 -33.65 31.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.85 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -110.06 34.51 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -159.17 108.87 1.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.99 -10.01 20.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.483 ' OD2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -77.7 -42.82 33.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.13 31.24 23.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.483 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 29.6 p-10 -79.02 -17.73 54.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.2 -28.98 12.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.5 m -103.12 169.22 8.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 0.778 . . . . 0.0 110.399 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.876 HG12 HG23 ' A' ' 52' ' ' ILE . 1.1 mm -113.9 139.15 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.618 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.1 m-20 -105.81 -170.8 1.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.705 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 19.7 t80 -78.18 -43.85 2.18 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.1 Cg_endo -75.02 -18.4 18.71 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.584 ' O ' HG22 ' A' ' 70' ' ' THR . 25.6 mt-10 -89.53 -25.04 21.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.545 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -90.32 -33.48 16.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.684 HD12 ' HA ' ' A' ' 66' ' ' PRO . 11.6 mt -39.76 -45.64 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.85 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.8 t -51.9 -47.9 64.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.406 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -47.31 -53.25 14.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.545 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.0 mmt -52.54 -49.02 65.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.3 -52.88 9.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.489 ' O ' ' OXT' ' A' ' 75' ' ' LYS . 24.3 mtm180 -116.15 74.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.489 ' OXT' ' O ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.511 0.196 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -170.71 127.02 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -166.91 146.49 5.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -155.74 122.04 5.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.735 ' C ' HG23 ' A' ' 5' ' ' THR . 0.8 OUTLIER -100.52 -154.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.735 HG23 ' C ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER 67.58 -147.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.5 ' N ' ' OG1' ' A' ' 5' ' ' THR . 42.5 mt-10 -34.46 -52.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.247 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 6' ' ' GLU . 1.6 mm-40 -37.74 -41.64 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -66.09 -54.31 27.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.556 HD11 HD22 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -48.09 -48.97 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.441 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -37.7 -38.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.24 -52.54 32.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.485 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 34.2 m-85 -44.8 -26.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -43.84 -51.63 7.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -58.27 -41.51 84.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.244 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -52.63 -54.07 38.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.584 ' CE1' ' CD1' ' A' ' 27' ' ' ILE . 47.4 t80 -53.25 -35.58 60.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' LEU . 15.2 m -58.64 -50.45 73.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -35.55 -52.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.547 ' CB ' HD13 ' A' ' 27' ' ' ILE . 53.8 m-85 -76.27 -47.19 24.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.497 ' HB2' HG12 ' A' ' 27' ' ' ILE . 14.3 t0 -80.26 89.53 5.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -67.06 -54.35 22.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.62 -23.86 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.92 15.97 30.13 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.888 ' OD2' HG22 ' A' ' 26' ' ' THR . 11.5 p-10 -61.59 -31.45 71.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 0.733 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.46 4.93 7.38 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.888 HG22 ' OD2' ' A' ' 24' ' ' ASP . 1.4 t -137.12 154.61 50.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 110.406 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.584 ' CD1' ' CE1' ' A' ' 16' ' ' PHE . 85.3 mt -121.05 111.58 32.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.556 ' OG1' ' N ' ' A' ' 29' ' ' THR . 6.3 t -84.18 -150.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.556 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.1 p -86.95 -48.85 7.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.384 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -52.3 66.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -58.4 -23.47 57.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.358 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.792 HD23 ' CD2' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -85.88 -38.94 17.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.428 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -82.01 -1.36 90.28 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.535 1.147 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.528 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -82.94 -67.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 110.389 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.528 ' N ' HG22 ' A' ' 34' ' ' THR . 2.1 t -43.73 -26.97 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.432 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -67.1 -44.71 79.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.447 ' NH2' ' OD1' ' A' ' 42' ' ' ASN . 1.9 mtt-85 -53.75 -26.42 23.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.23 -1.56 37.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.51 15.97 11.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.77 19.22 76.56 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -106.12 176.06 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.447 ' OD1' ' NH2' ' A' ' 37' ' ' ARG . 30.3 t-20 176.46 72.0 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 132.56 15.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.1 p -48.08 169.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 110.37 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.45 -23.64 65.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.47 -44.51 67.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.27 -62.36 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.792 ' CD2' HD23 ' A' ' 32' ' ' LEU . 7.3 mt -42.34 -58.71 2.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -39.56 -46.58 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -44.51 95.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 48' ' ' LEU . 6.0 mtt -62.45 -41.94 99.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.841 HG23 HG12 ' A' ' 63' ' ' ILE . 5.4 mt -63.28 -32.95 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -83.95 -10.75 57.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 51' ' ' MET . 2.3 mt-10 -80.78 -14.61 57.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.881 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -122.04 -42.74 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.424 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 27.3 t70 -74.77 112.54 11.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.99 -8.03 26.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.448 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -80.22 -36.49 34.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.23 32.96 41.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.448 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 35.8 p-10 -76.37 -21.68 55.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.84 -38.4 3.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.1 p -101.38 179.21 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 0.81 . . . . 0.0 110.389 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.841 HG12 HG23 ' A' ' 52' ' ' ILE . 1.3 mm -119.74 144.09 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.621 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 50.4 m-20 -109.4 -170.94 1.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.704 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 35.3 t80 -77.6 -43.96 2.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.979 ' HA ' HD12 ' A' ' 69' ' ' LEU . 18.2 Cg_endo -75.06 -20.97 16.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.475 1.776 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.499 ' O ' HG22 ' A' ' 70' ' ' THR . 1.3 mm-40 -85.32 -26.83 26.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.442 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -87.27 -29.86 21.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 111.009 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.979 HD12 ' HA ' ' A' ' 66' ' ' PRO . 7.9 mt -45.89 -55.89 6.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.881 ' CG2' HG12 ' A' ' 55' ' ' VAL . 8.8 t -40.36 -49.83 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.456 ' HA ' ' CG ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -49.92 -39.09 39.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 111.049 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' LEU . 1.5 mmt -70.89 -33.66 70.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.43 -39.01 59.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.456 ' CG ' ' HA ' ' A' ' 71' ' ' MET . 0.8 OUTLIER -88.93 37.69 0.85 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.638 ' O ' ' HB2' ' A' ' 1' ' ' ALA . 3.0 ttp . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.497 0.189 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 0' ' ' MET . . . 167.51 172.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -137.28 -162.24 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -157.03 119.59 3.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.745 ' C ' HG23 ' A' ' 5' ' ' THR . 0.9 OUTLIER -110.35 -154.33 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.745 HG23 ' C ' ' A' ' 4' ' ' LEU . 1.1 p 68.39 -151.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.377 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 5' ' ' THR . 42.3 mt-10 -33.85 -49.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' GLU . 2.5 mm-40 -37.77 -42.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -73.68 -49.92 23.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.656 HD11 HD22 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -54.56 -46.39 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . -37.56 -37.92 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -70.77 -50.73 32.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.633 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 34.6 m-85 -46.91 -31.52 3.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 4.2 mttp -39.6 -59.06 1.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -50.94 -41.9 59.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -49.12 -55.71 11.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.577 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 64.8 t80 -51.56 -34.09 35.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.3 m -56.56 -51.68 67.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -38.43 -54.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.505 ' CB ' HD13 ' A' ' 27' ' ' ILE . 56.8 m-85 -72.11 -45.71 59.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.107 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.499 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 25.5 t0 -83.45 95.96 8.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' A' ' 23' ' ' GLY . 13.2 tttt -67.32 -60.81 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 1.5 p-10 -49.35 -22.78 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 57.92 16.19 23.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.551 1.157 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 48.3 p-10 -60.84 -27.55 68.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 0.746 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 121.87 9.05 7.07 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.1 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 3.0 p -137.98 152.7 49.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 0.794 . . . . 0.0 110.371 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.577 HG13 ' CZ ' ' A' ' 16' ' ' PHE . 81.7 mt -122.43 104.6 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.6 t -77.73 -152.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.521 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.2 p -81.64 -56.64 3.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.413 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 33' ' ' GLY . 14.4 tttt -52.89 -60.14 3.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -49.67 -23.12 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.852 HD23 ' CD2' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -88.34 -33.35 18.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' LYS . . . -87.58 -3.51 80.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.525 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -81.4 -68.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.417 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.525 ' N ' HG22 ' A' ' 34' ' ' THR . 2.2 t -42.81 -27.59 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.436 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.1 OUTLIER -64.63 -45.84 85.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' THR . 2.8 mtm180 -67.76 -16.27 64.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -98.23 15.38 24.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.132 . . . . 0.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.88 -46.45 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.19 42.45 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -139.52 179.95 6.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.783 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.418 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 55.8 t-20 176.26 64.43 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.01 127.18 10.47 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.5 1.789 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.4 p -48.22 157.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.377 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' HA ' HD12 ' A' ' 48' ' ' LEU . 2.9 mt-10 -54.7 -27.41 40.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.96 -44.06 70.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.48 -61.04 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.852 ' CD2' HD23 ' A' ' 32' ' ' LEU . 7.3 mt -42.41 -58.07 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -43.3 -45.8 6.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.306 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -36.2 83.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.7 mtt -74.55 -45.71 43.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.467 HG23 HG12 ' A' ' 63' ' ' ILE . 1.4 mt -54.5 -32.0 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -74.31 -18.51 60.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' MET . 6.5 mt-10 -85.8 -16.03 40.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.951 HG12 HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -124.53 36.28 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.42 ' HB2' HD13 ' A' ' 63' ' ' ILE . 58.9 t0 -170.06 123.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.52 11.9 38.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.479 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -111.56 -33.14 6.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 50.59 42.83 45.02 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.479 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 21.9 p-10 -71.96 -20.63 61.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 0.753 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.24 16.56 6.08 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.441 1.088 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.441 ' CG2' ' HB ' ' A' ' 26' ' ' THR . 0.4 OUTLIER -160.48 164.67 32.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 110.379 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.651 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.3 mm -112.32 139.96 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.651 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.6 m-20 -115.8 -174.17 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.722 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 17.0 t80 -68.25 -44.53 37.23 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.722 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.05 -7.18 18.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.782 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.598 ' O ' HG22 ' A' ' 70' ' ' THR . 1.2 mm-40 -103.42 -33.88 8.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.536 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -85.73 -34.14 21.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.656 HD22 HD11 ' A' ' 9' ' ' ILE . 8.9 mt -37.13 -47.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.951 HG23 HG12 ' A' ' 55' ' ' VAL . 9.9 t -50.36 -52.27 38.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.525 ' HG3' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -40.83 -47.77 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.536 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -67.33 -40.79 85.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.95 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.52 -45.39 87.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -117.96 66.0 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.455 0.169 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -167.5 172.13 9.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 3' ' ' GLN . 60.1 m-20 -85.73 178.15 7.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 2' ' ' ASP . 5.1 tt0 60.73 127.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.504 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.4 OUTLIER -53.88 176.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.504 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -154.66 -162.57 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 9' ' ' ILE . 48.1 mt-10 -41.95 -37.21 1.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 110.313 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -38.7 -38.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.409 ' HG2' HD13 ' A' ' 4' ' ' LEU . 9.4 mp0 -80.27 -42.64 22.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.682 HD11 HD22 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -61.92 -36.08 71.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.69 -39.32 5.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.51 -37.95 83.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.7 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 4.8 m-85 -68.78 -33.31 73.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 32.3 mttt -39.99 -63.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -45.24 -37.54 4.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -58.26 -53.59 56.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.453 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 66.2 t80 -61.17 -34.66 75.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.2 m -58.74 -50.51 73.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.476 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -38.19 -51.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.681 ' CB ' HD13 ' A' ' 27' ' ' ILE . 69.8 m-85 -75.52 -48.2 23.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.49 ' HB2' HG12 ' A' ' 27' ' ' ILE . 7.9 t0 -81.41 95.11 6.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.15 -51.58 13.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -50.61 -22.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.67 14.48 29.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -63.08 -29.7 71.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.43 13.37 6.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.57 1.169 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 66.8 p -142.68 153.47 43.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 110.402 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.681 HD13 ' CB ' ' A' ' 19' ' ' PHE . 73.6 mt -123.05 106.34 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.678 ' O ' HD11 ' A' ' 52' ' ' ILE . 5.4 t -79.06 -142.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.544 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.0 p -93.46 -50.08 5.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -52.99 62.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -59.11 -21.52 59.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.684 HD23 ' CD2' ' A' ' 48' ' ' LEU . 2.6 tp -85.11 -32.12 22.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.62 -5.66 74.48 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 37' ' ' ARG . 1.4 m -77.83 -64.99 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 110.4 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 2.2 t -45.88 -26.78 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -42.91 73.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.432 ' CZ ' ' OD1' ' A' ' 42' ' ' ASN . 2.0 mtt-85 -54.56 -26.6 33.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -73.88 -20.01 60.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.41 22.6 14.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 63.09 26.86 69.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.453 1.095 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -110.57 177.97 4.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.744 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.432 ' OD1' ' CZ ' ' A' ' 37' ' ' ARG . 14.4 t-20 175.86 73.63 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 144.66 30.45 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.0 p -62.6 156.83 22.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -54.4 -30.06 50.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.53 82.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.43 -59.85 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.684 ' CD2' HD23 ' A' ' 32' ' ' LEU . 7.6 mt -48.01 -59.02 3.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -41.35 -41.54 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -41.59 83.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.4 mtt -66.89 -55.22 15.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.738 HG23 HG12 ' A' ' 63' ' ' ILE . 6.3 mt -45.15 -50.37 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -47.72 -43.01 26.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 51' ' ' MET . 19.3 mt-10 -52.53 -38.31 59.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.821 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -112.94 35.78 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -155.12 92.59 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.96 -12.19 42.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.465 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -76.41 -40.22 51.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.0 32.6 25.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.465 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 33.1 p-10 -80.76 -17.99 49.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.87 -30.31 10.01 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.409 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 1.1 m -101.43 168.26 9.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 110.428 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.738 HG12 HG23 ' A' ' 52' ' ' ILE . 1.2 mm -114.82 139.52 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.608 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 36.5 m-20 -111.42 -172.14 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.678 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 7.6 t80 -75.16 -44.76 4.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.678 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -75.03 -10.81 21.33 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.582 ' O ' HG22 ' A' ' 70' ' ' THR . 1.4 mm-40 -97.07 -28.32 14.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.329 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -93.11 -36.83 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.682 HD22 HD11 ' A' ' 9' ' ' ILE . 12.4 mt -38.66 -40.03 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.821 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.5 t -57.68 -51.61 68.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.453 ' N ' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -39.13 -51.09 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.6 mmt -62.34 -49.23 76.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.413 ' HB3' ' HD3' ' A' ' 74' ' ' ARG . . . -54.68 -43.84 72.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.413 ' HD3' ' HB3' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -123.8 73.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.98 ' HG2' ' OXT' ' A' ' 75' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.632 ' O ' ' HB2' ' A' ' 1' ' ' ALA . 6.2 ptp . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.529 0.204 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 0' ' ' MET . . . 166.58 149.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -179.72 84.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 178.57 126.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.468 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.3 OUTLIER -82.05 176.81 9.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.468 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -151.69 -164.81 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.411 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 9' ' ' ILE . 38.3 mt-10 -46.27 -32.52 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' GLU . 1.5 mm-40 -38.46 -41.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -47.91 71.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.488 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -53.1 -51.79 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.488 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -38.94 -37.92 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.44 -49.53 54.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.659 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 22.0 m-85 -51.28 -29.94 16.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' PHE . 38.7 mttt -39.65 -63.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -47.75 -42.69 26.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -49.95 -57.03 8.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.691 ' CE1' HD12 ' A' ' 27' ' ' ILE . 71.9 t80 -53.63 -35.98 61.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.5 t -57.64 -51.07 71.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -38.39 -51.42 1.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.433 ' CB ' HD13 ' A' ' 27' ' ' ILE . 60.6 m-85 -74.77 -43.9 52.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 30.6 t0 -83.44 95.49 8.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.409 ' C ' ' N ' ' A' ' 23' ' ' GLY . 1.8 tmtt? -65.67 -62.34 1.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -48.88 -23.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 57.93 17.06 27.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 35.7 p-10 -60.55 -29.09 68.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 124.02 4.7 7.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 31.0 p -136.37 146.93 47.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.691 HD12 ' CE1' ' A' ' 16' ' ' PHE . 83.2 mt -114.85 121.54 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.555 ' O ' HD11 ' A' ' 52' ' ' ILE . 8.6 t -96.26 -154.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.415 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.517 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.5 p -79.99 -56.55 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.434 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -54.37 -60.33 3.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.401 ' HG3' HG22 ' A' ' 28' ' ' THR . 53.1 mt-10 -43.29 -34.98 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.608 ' HB3' HD22 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -75.5 -53.6 8.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -60.97 -13.28 33.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.551 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -70.14 -70.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.399 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.551 ' N ' HG22 ' A' ' 34' ' ' THR . 2.4 t -48.06 -24.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.408 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -70.95 -43.59 67.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.41 ' NE ' ' O ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -68.33 -22.38 64.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.319 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -103.25 42.87 1.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.04 -44.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.14 42.74 0.09 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.117 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -143.42 177.49 8.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.793 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.42 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 7.5 t-20 176.46 64.37 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.03 120.36 6.03 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.477 1.777 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.5 p -41.21 157.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.363 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.59 -29.26 58.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.86 -47.21 66.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.73 -57.77 10.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.608 HD22 ' HB3' ' A' ' 32' ' ' LEU . 5.9 mt -46.46 -57.64 4.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -38.57 -45.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.236 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -44.86 78.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' LEU . 6.2 mtt -61.19 -39.77 91.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.863 HG23 ' CG1' ' A' ' 63' ' ' ILE . 4.0 mt -73.45 -29.21 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -86.13 10.62 13.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 51' ' ' MET . 1.5 mt-10 -98.44 -20.82 16.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.669 HG23 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -117.31 -39.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.406 ' OD1' ' OD2' ' A' ' 58' ' ' ASP . 11.1 t0 -69.78 84.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.68 -11.39 59.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -80.56 -29.31 37.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.56 33.3 61.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 47.3 p-10 -74.6 -23.32 58.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 109.23 -34.31 5.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.409 HG22 ' ND2' ' A' ' 60' ' ' ASN . 5.3 t -106.33 -173.78 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.41 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.863 ' CG1' HG23 ' A' ' 52' ' ' ILE . 1.1 mm -127.46 140.61 48.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.616 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 8.3 m-20 -108.64 -167.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.739 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 15.9 t80 -76.92 -44.44 2.92 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -75.04 -14.5 21.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.515 ' O ' HG22 ' A' ' 70' ' ' THR . 2.1 mm-40 -91.67 -29.45 16.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -89.85 -29.5 18.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 66' ' ' PRO . 10.3 mt -47.44 -36.41 9.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -68.9 -37.81 79.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -48.07 69.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.571 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.0 mmt -63.89 -47.46 80.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.4 -46.01 87.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -109.03 58.7 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.573 ' O ' ' HB2' ' A' ' 1' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.485 0.183 . . . . 0.0 110.975 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 0' ' ' MET . . . 171.86 161.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.38 126.05 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -172.69 127.38 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.477 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.3 OUTLIER -83.49 176.09 9.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.477 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -153.07 -164.16 1.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.379 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 9' ' ' ILE . 26.9 mt-10 -43.54 -34.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' GLU . 2.1 mt-10 -37.74 -42.0 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -47.97 76.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.51 HD11 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -51.9 -46.94 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.418 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -41.67 -38.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -70.32 -45.12 66.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.631 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 30.3 m-85 -57.4 -32.87 67.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 10.6 mtmm -40.26 -57.15 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -52.28 -39.34 60.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -52.43 -52.97 51.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 67.5 t80 -51.48 -37.27 48.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 18' ' ' LEU . 16.1 m -55.81 -52.73 62.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.037 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -34.98 -49.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.635 ' CB ' HD13 ' A' ' 27' ' ' ILE . 81.4 m-85 -78.76 -48.87 14.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' HG12 ' A' ' 27' ' ' ILE . 36.6 t0 -80.2 83.05 6.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -39.04 87.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -67.51 -22.29 65.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.478 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 56.86 16.33 17.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -60.87 -37.1 80.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.44 -6.2 4.93 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 30.5 p -130.4 147.2 52.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 0.76 . . . . 0.0 110.415 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.635 HD13 ' CB ' ' A' ' 19' ' ' PHE . 91.3 mt -113.79 104.74 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.526 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.2 t -73.01 -153.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.381 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.526 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.8 p -84.16 -52.81 5.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 110.385 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' GLY . 26.4 tttt -54.28 -57.62 10.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -52.18 -21.44 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.612 ' HB3' HD22 ' A' ' 48' ' ' LEU . 1.5 tp -87.41 -28.93 21.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' LYS . . . -89.7 -2.61 75.47 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.528 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -82.57 -66.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.748 . . . . 0.0 110.375 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.528 ' N ' HG22 ' A' ' 34' ' ' THR . 2.2 t -44.15 -27.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.406 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -66.38 -44.38 83.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 111.011 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.6 OUTLIER -52.71 -24.23 8.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 m -73.34 -21.55 60.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.45 26.46 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.14 23.6 62.1 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.445 1.091 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -105.19 -177.11 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 0.808 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.5 t30 170.61 71.06 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 144.11 29.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.2 p -62.08 167.7 3.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -63.03 -22.47 66.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.93 -48.97 41.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -55.97 -56.59 18.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 32' ' ' LEU . 6.9 mt -48.63 -56.92 7.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -41.2 -38.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -42.59 58.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.499 ' O ' HG22 ' A' ' 55' ' ' VAL . 5.5 mtt -63.69 -42.63 97.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.707 HG23 HG12 ' A' ' 63' ' ' ILE . 4.0 mt -59.66 -61.3 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -40.95 -52.59 3.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -43.68 -46.89 7.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.721 HG12 HG23 ' A' ' 70' ' ' THR . 0.7 OUTLIER -104.63 34.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.51 91.46 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.38 -1.92 58.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -87.41 -27.22 22.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 47.8 40.02 18.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 30.4 p-10 -101.58 -7.08 23.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.607 ' C ' HG23 ' A' ' 62' ' ' THR . . . 106.22 142.15 10.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.607 HG23 ' C ' ' A' ' 61' ' ' GLY . 1.1 p 61.85 175.04 0.12 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 0.773 . . . . 0.0 110.438 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.707 HG12 HG23 ' A' ' 52' ' ' ILE . 1.2 mm -121.46 137.6 54.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.647 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.1 m-20 -99.86 -172.48 2.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.725 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 28.7 t80 -70.75 -44.46 16.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.96 -14.45 21.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.432 1.754 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.517 ' O ' ' CG2' ' A' ' 70' ' ' THR . 18.3 mt-10 -95.56 -22.89 17.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.526 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.3 OUTLIER -94.18 -32.22 13.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.946 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 66' ' ' PRO . 9.5 mt -45.32 -35.77 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.721 HG23 HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -62.02 -38.91 90.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 110.415 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -55.97 -58.12 9.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.526 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.1 mmt -50.15 -40.94 48.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 70' ' ' THR . . . -49.33 -54.42 17.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.9 mtm180 -110.28 71.18 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.547 0.213 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -171.59 82.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.89 -174.86 2.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 4' ' ' LEU . 2.2 tt0 -126.92 159.84 32.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.827 HD12 HG23 ' A' ' 5' ' ' THR . 1.7 pp -54.81 -168.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.827 HG23 HD12 ' A' ' 4' ' ' LEU . 4.8 p 51.07 153.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 68.97 -54.17 0.57 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.4 mm-40 -76.83 -47.44 21.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -48.1 -41.51 26.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 110.315 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.538 HG13 HD21 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -54.65 -50.46 59.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.47 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -40.19 -36.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -70.63 -47.89 57.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.583 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 19.5 m-85 -53.84 -33.07 55.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.565 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 15.3 mtmt -40.41 -56.59 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -52.78 -40.78 63.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -52.98 -55.64 22.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.725 ' CE1' HD12 ' A' ' 27' ' ' ILE . 59.8 t80 -46.56 -34.1 4.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.3 t -55.46 -53.83 51.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -38.3 -54.4 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -71.26 -48.33 51.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.513 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 25.2 t0 -82.4 96.07 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.424 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -67.29 -60.54 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -49.7 -21.43 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 54.73 18.61 11.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.456 1.097 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.9 p30 -63.44 -23.96 67.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.17 9.44 8.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 2.5 p -137.87 162.97 32.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.455 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.725 HD12 ' CE1' ' A' ' 16' ' ' PHE . 81.0 mt -131.23 116.52 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.573 ' OG1' ' N ' ' A' ' 29' ' ' THR . 5.3 t -92.98 -152.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.402 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.573 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.9 p -90.02 -39.13 13.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.413 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -24.89 63.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.368 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.484 ' OE1' HG22 ' A' ' 28' ' ' THR . 44.9 mt-10 -91.31 -12.81 33.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.878 HD23 ' CD2' ' A' ' 48' ' ' LEU . 1.6 tp -94.08 -37.43 11.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -83.62 -5.76 87.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.476 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -76.83 -65.25 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.408 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.476 ' N ' HG22 ' A' ' 34' ' ' THR . 2.2 t -45.57 -26.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.405 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -71.33 -41.82 69.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.446 ' NE ' ' O ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -68.27 -42.05 80.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.8 m -52.13 -25.16 8.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.959 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.0 -85.82 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.05 31.64 0.12 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -124.82 179.17 5.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 110.281 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 177.98 71.73 0.11 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 134.35 17.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.6 p -53.32 157.97 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.18 -24.84 57.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.29 -44.13 72.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.88 -62.27 2.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.878 ' CD2' HD23 ' A' ' 32' ' ' LEU . 6.7 mt -42.95 -58.46 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -41.39 -43.86 2.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -40.31 82.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.497 ' O ' HG22 ' A' ' 55' ' ' VAL . 4.8 mtt -68.33 -48.85 63.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.413 HG23 HG12 ' A' ' 63' ' ' ILE . 1.1 mt -52.42 -51.17 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -48.55 -51.81 25.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -48.57 -38.2 19.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.045 HG12 HG23 ' A' ' 70' ' ' THR . 1.2 m -107.83 38.02 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -163.53 111.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.57 -10.1 18.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -84.5 -20.04 32.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.436 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 40.11 43.33 2.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -83.99 -19.08 35.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 0.767 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.12 42.16 2.12 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 179.27 153.34 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 0.73 . . . . 0.0 110.388 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' ILE . 2.7 mm -106.51 137.04 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.66 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.1 m-20 -115.0 -171.43 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.688 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 9.3 t80 -69.81 -43.82 21.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.688 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.02 -10.04 21.0 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.5 1.79 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.675 ' O ' HG22 ' A' ' 70' ' ' THR . 1.4 mm-40 -100.28 -25.69 14.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.576 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -93.4 -29.14 15.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.538 HD21 HG13 ' A' ' 9' ' ' ILE . 13.0 mt -48.78 -25.49 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' THR . . . . . 1.045 HG23 HG12 ' A' ' 55' ' ' VAL . 1.3 t -75.5 -35.67 60.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.382 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -53.89 -57.69 10.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -64.89 -28.92 69.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.76 -42.26 82.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -88.12 38.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.529 ' O ' ' HB2' ' A' ' 1' ' ' ALA . 1.5 ttt . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.488 0.185 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 0' ' ' MET . . . 173.62 169.51 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -66.18 171.73 4.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 63.92 137.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.577 HD13 ' HG3' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -52.77 -177.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.486 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -153.45 -161.82 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.429 ' O ' HG22 ' A' ' 9' ' ' ILE . 47.1 mt-10 -44.1 -39.23 4.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -38.26 -38.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 110.275 -179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.577 ' HG3' HD13 ' A' ' 4' ' ' LEU . 72.9 mm-40 -79.23 -45.72 19.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.593 HD11 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -58.77 -39.44 76.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -41.83 -39.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -68.11 -41.92 81.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.701 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 8.1 m-85 -63.74 -31.9 73.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 9.8 mttp -40.48 -61.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -46.18 -37.53 7.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -56.81 -54.1 50.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.576 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 53.5 t80 -59.39 -32.68 70.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -60.68 -50.53 73.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.042 179.95 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -39.28 -59.75 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.61 ' CB ' HD13 ' A' ' 27' ' ' ILE . 34.2 m-85 -65.01 -46.69 80.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -74.74 82.08 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.6 17.76 5.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.443 ' OD1' ' CG ' ' A' ' 24' ' ' ASP . 1.6 p30 -113.62 -19.36 11.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.08 81.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 33.1 p-10 -146.4 -42.42 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 135.38 -4.66 4.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 30.7 p -128.25 159.14 36.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 0.765 . . . . 0.0 110.41 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.61 HD13 ' CB ' ' A' ' 19' ' ' PHE . 85.3 mt -124.53 96.52 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.666 HG22 ' HG3' ' A' ' 31' ' ' GLU . 7.3 t -68.01 -152.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.54 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.0 p -90.34 -52.97 4.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -54.77 -26.54 35.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.666 ' HG3' HG22 ' A' ' 28' ' ' THR . 1.3 mm-40 -87.41 -18.64 29.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.736 HD22 HG13 ' A' ' 52' ' ' ILE . 5.1 tp -87.92 -29.65 20.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.75 -3.33 64.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -79.68 -60.88 2.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 0.0 110.387 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 1.9 t -46.73 -32.3 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -65.74 -37.88 87.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 42' ' ' ASN . 6.3 mmt180 -41.43 -36.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -49.56 75.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.997 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' MET . 1.0 OUTLIER -69.71 -20.53 63.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.35 16.06 63.12 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.469 ' O ' ' C ' ' A' ' 42' ' ' ASN . 5.1 mt-30 -72.53 -37.66 68.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.747 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.469 ' C ' ' O ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER 34.64 71.81 0.76 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.535 ' HG2' HD21 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -74.98 158.3 42.35 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.476 1.777 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.9 p -82.34 155.17 24.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.04 -21.62 46.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.19 -45.63 39.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.35 -60.68 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.62 HD22 ' HB3' ' A' ' 32' ' ' LEU . 8.8 mt -42.71 -59.49 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -41.35 -47.66 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -39.79 95.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.0 mtt -69.67 -55.79 9.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.736 HG13 HD22 ' A' ' 32' ' ' LEU . 1.2 mt -45.48 -45.7 4.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -51.72 -34.9 40.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 51' ' ' MET . 15.2 mt-10 -63.04 -34.75 78.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.803 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -112.99 32.55 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 0.4 OUTLIER -156.59 100.93 1.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.55 -9.15 30.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -79.68 -35.8 38.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.74 32.85 44.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.586 ' ND2' HG22 ' A' ' 62' ' ' THR . 52.7 p-10 -76.59 -19.72 57.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 0.802 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.492 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 103.67 -29.57 11.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.586 HG22 ' ND2' ' A' ' 60' ' ' ASN . 10.9 t -107.57 -179.26 3.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 110.419 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.699 ' CD1' HG23 ' A' ' 55' ' ' VAL . 1.1 mm -122.83 141.42 43.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.611 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.5 m-20 -110.15 -170.99 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.689 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 9.5 t80 -75.04 -44.8 4.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.689 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.04 -11.46 21.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.467 1.772 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.611 ' O ' HG22 ' A' ' 70' ' ' THR . 1.0 OUTLIER -96.96 -28.16 14.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.505 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -91.94 -37.9 12.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.593 HD22 HD11 ' A' ' 9' ' ' ILE . 13.4 mt -38.3 -41.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.803 ' CG2' HG12 ' A' ' 55' ' ' VAL . 2.5 t -55.75 -51.92 65.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -40.69 -51.64 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.944 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.505 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -61.95 -43.7 98.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.4 -44.57 80.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -111.36 63.31 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.935 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.611 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -52.94 24.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.523 HD11 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -47.08 -45.98 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -40.07 -37.98 0.67 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -71.84 -48.51 45.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.527 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 25.0 m-85 -49.29 -29.38 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 111.024 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -44.01 -54.72 5.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -54.49 -44.11 72.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -49.47 -54.83 15.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.62 ' CE1' ' CD1' ' A' ' 27' ' ' ILE . 46.7 t80 -53.49 -31.95 48.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -62.42 -51.96 65.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -36.66 -56.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.53 ' CB ' HD13 ' A' ' 27' ' ' ILE . 56.1 m-85 -70.52 -41.17 72.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -79.21 95.97 5.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.46 19.59 7.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -114.11 -20.18 11.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.51 16.24 21.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 37.7 p30 -81.97 -31.19 31.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.741 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 117.22 16.98 5.91 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.471 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 6.6 p -140.57 152.34 45.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 0.736 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.62 ' CD1' ' CE1' ' A' ' 16' ' ' PHE . 67.5 mt -122.16 102.77 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.63 ' O ' HD11 ' A' ' 52' ' ' ILE . 10.2 t -79.55 -154.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.488 ' N ' ' OG1' ' A' ' 28' ' ' THR . 6.1 p -80.58 -62.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.371 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -46.95 -56.6 6.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -50.1 -29.03 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.75 ' HB3' HD22 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -82.02 -39.38 23.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.29 8.54 52.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.574 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -96.06 -68.9 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.381 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.574 ' N ' HG22 ' A' ' 34' ' ' THR . 2.2 t -45.5 -31.53 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -50.51 -30.59 13.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.475 ' CZ ' HG23 ' A' ' 34' ' ' THR . 1.2 ptt180 -57.1 -30.13 64.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.1 m -67.34 -39.92 85.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.966 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.51 -12.91 59.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.75 22.26 34.17 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -108.16 176.63 5.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.4 t30 177.27 72.09 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 166.68 28.67 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.533 1.807 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 p -76.44 174.02 10.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.47 -10.79 60.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.59 -54.17 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.81 -57.42 12.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.75 HD22 ' HB3' ' A' ' 32' ' ' LEU . 6.0 mt -45.51 -58.27 3.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -39.8 -46.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -42.8 93.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.9 mtt -63.59 -40.1 96.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.954 HG23 HG12 ' A' ' 63' ' ' ILE . 4.9 mt -71.46 -27.22 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -88.77 7.09 35.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 51' ' ' MET . 1.7 mt-10 -95.83 -18.29 20.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.684 HG23 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -119.25 -40.43 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -71.43 98.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.15 -7.98 57.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.481 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -82.26 -31.27 30.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.97 32.93 58.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 49.8 p30 -74.22 -20.53 60.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 104.0 -25.91 24.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.446 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 1.2 t -112.33 -179.21 3.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 110.42 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.954 HG12 HG23 ' A' ' 52' ' ' ILE . 1.1 mm -123.18 139.06 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.623 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 58.9 m-20 -103.4 -169.27 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.718 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 19.7 t80 -76.86 -44.11 2.96 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.914 ' HA ' HD12 ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.0 -25.68 11.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.792 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.529 ' O ' ' CG2' ' A' ' 70' ' ' THR . 1.1 mm-40 -80.08 -22.6 42.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -92.87 -29.98 15.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.914 HD12 ' HA ' ' A' ' 66' ' ' PRO . 6.1 mt -52.83 -36.83 59.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.529 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -61.72 -37.36 83.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.363 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -37.54 75.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.65 -46.59 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.91 -42.39 48.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -42.79 -91.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -43.53 98.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.497 HG13 HD21 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -56.31 -48.28 79.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.43 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -42.83 -37.88 1.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.2 -39.43 71.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.604 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 4.2 m-85 -68.05 -33.32 74.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.575 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 6.9 mttt -38.76 -60.16 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -49.75 -42.31 46.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -52.65 -55.75 20.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.543 ' CE1' HD12 ' A' ' 27' ' ' ILE . 59.0 t80 -53.02 -35.34 59.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -58.21 -52.26 66.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -36.47 -56.89 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.57 ' CB ' HD13 ' A' ' 27' ' ' ILE . 50.4 m-85 -70.22 -44.42 68.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.498 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 21.4 t0 -83.15 87.82 6.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' A' ' 23' ' ' GLY . 10.9 tptt -62.26 -61.49 2.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.48 -24.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.461 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.63 17.49 34.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 11.2 p30 -61.81 -29.59 70.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 125.16 4.11 7.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 4.8 p -135.3 151.72 50.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 110.414 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.57 HD13 ' CB ' ' A' ' 19' ' ' PHE . 95.5 mt -118.42 99.38 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.529 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.2 t -72.23 -151.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.529 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.6 p -87.08 -55.25 3.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -53.49 -42.54 67.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.43 ' OE2' HG22 ' A' ' 28' ' ' THR . 46.8 mt-10 -68.23 -20.71 64.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.612 HD23 HD23 ' A' ' 48' ' ' LEU . 1.7 tp -88.26 -29.84 20.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.53 8.71 74.52 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.87 -61.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 0.0 110.421 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 2.1 t -47.77 -28.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.17 -45.05 86.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -62.89 -29.25 70.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 p -64.51 -18.99 65.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.957 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.81 -77.94 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.31 36.17 0.05 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.543 1.152 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -131.81 169.22 16.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 110.254 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 0.3 OUTLIER -167.12 73.39 1.04 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 146.41 32.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.6 p -71.18 163.43 27.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.18 -24.78 56.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.51 -45.39 72.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.32 -62.32 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.612 HD23 HD23 ' A' ' 32' ' ' LEU . 6.4 mt -41.88 -58.3 2.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -42.24 -42.52 3.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -38.89 82.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 48' ' ' LEU . 25.4 mtp -69.63 -47.25 64.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.793 HG23 HG12 ' A' ' 63' ' ' ILE . 5.7 mt -52.57 -52.67 24.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -46.04 -54.47 8.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -45.43 -38.12 5.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.97 HG12 HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -110.19 34.49 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -159.25 92.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.8 -7.14 55.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.482 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -82.15 -33.52 29.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.87 34.34 56.2 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.634 ' ND2' HG22 ' A' ' 62' ' ' THR . 50.7 p-10 -75.84 -21.76 56.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.447 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 105.92 -25.22 24.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.634 HG22 ' ND2' ' A' ' 60' ' ' ASN . 7.2 t -113.32 -177.68 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.793 HG12 HG23 ' A' ' 52' ' ' ILE . 1.2 mm -122.42 142.84 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.6 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 33.5 m-20 -112.32 -169.7 1.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.746 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 11.7 t80 -77.37 -44.78 2.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.746 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.99 -12.0 21.51 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.496 ' O ' ' CG2' ' A' ' 70' ' ' THR . 1.0 OUTLIER -96.47 -22.79 16.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -95.89 -30.25 13.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 66' ' ' PRO . 11.1 mt -47.64 -28.75 2.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.97 HG23 HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -70.54 -36.55 73.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.39 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -57.73 -49.94 74.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.559 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.1 mmt -59.8 -41.84 92.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.73 92.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.52 59.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -48.66 49.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.561 HG13 HD21 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -53.8 -45.45 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -41.71 -39.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.06 -44.45 84.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.657 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 54.8 m-85 -61.44 -34.44 75.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.521 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 56.4 mttm -39.5 -62.57 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -47.02 -38.71 11.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -58.12 -55.15 38.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.666 ' CE1' HD12 ' A' ' 27' ' ' ILE . 59.0 t80 -56.28 -35.43 67.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.6 t -59.7 -51.48 69.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.024 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -38.73 -50.87 1.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.473 ' CB ' HD13 ' A' ' 27' ' ' ILE . 23.3 m-85 -76.24 -42.76 44.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.17 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 23.7 t0 -84.59 87.2 7.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.417 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER -61.48 -61.39 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.24 -23.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.46 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.18 16.84 28.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 36.5 p-10 -60.61 -30.99 70.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.424 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 126.23 1.13 7.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 44.7 p -132.94 146.97 52.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.666 HD12 ' CE1' ' A' ' 16' ' ' PHE . 89.3 mt -114.25 109.07 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.4 t -82.8 -152.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.403 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.521 ' N ' ' OG1' ' A' ' 28' ' ' THR . 34.1 p -90.06 -44.65 9.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.433 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -66.47 -21.34 66.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.477 ' CG ' HG22 ' A' ' 28' ' ' THR . 49.1 mt-10 -93.09 -12.2 31.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.702 HD23 ' CD2' ' A' ' 48' ' ' LEU . 2.0 tp -93.19 -36.92 12.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.28 -10.72 81.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -69.81 -63.09 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 0.0 110.45 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.428 ' N ' HG22 ' A' ' 34' ' ' THR . 2.2 t -49.87 -27.66 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -43.56 75.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -65.58 -19.8 66.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 t -106.45 32.43 4.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 tt -146.44 -46.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.94 44.07 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -148.05 179.41 7.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.415 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 31.2 t-20 177.61 64.66 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.251 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HG2' HD21 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.02 137.54 21.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.9 p -59.97 157.71 12.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -52.08 -31.17 29.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.31 -45.01 77.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.7 -60.75 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.702 ' CD2' HD23 ' A' ' 32' ' ' LEU . 9.6 mt -45.98 -58.86 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -42.11 -44.06 3.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -38.71 92.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.507 ' N ' ' O ' ' A' ' 48' ' ' LEU . 45.8 mtp -70.15 -54.64 12.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.794 HG23 HG12 ' A' ' 63' ' ' ILE . 6.9 mt -45.2 -46.32 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -52.69 -38.31 60.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 51' ' ' MET . 13.0 mt-10 -60.85 -34.81 75.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.794 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -111.2 32.97 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.416 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 4.0 t70 -157.76 103.27 1.89 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.07 -8.87 29.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.462 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -78.69 -35.69 44.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.416 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 77.92 33.54 41.15 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.462 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 51.4 p-10 -77.44 -20.82 53.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 104.5 -28.99 12.71 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.4 p -108.37 -176.6 3.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 110.421 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.794 HG12 HG23 ' A' ' 52' ' ' ILE . 1.1 mm -124.75 142.55 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.604 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.9 OUTLIER -108.53 -167.38 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.716 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 15.1 t80 -79.54 -44.33 1.61 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.716 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.99 -14.41 21.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.624 ' O ' HG22 ' A' ' 70' ' ' THR . 16.7 mt-10 -94.3 -25.13 17.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 71' ' ' MET . 0.4 OUTLIER -92.72 -36.97 12.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.561 HD21 HG13 ' A' ' 9' ' ' ILE . 9.2 mt -39.74 -38.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.794 ' CG2' HG12 ' A' ' 55' ' ' VAL . 2.6 t -59.37 -49.82 76.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.448 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -42.97 -51.86 5.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -49.32 77.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.96 -44.81 64.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -48.36 -36.05 13.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.991 ' OXT' ' CG ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -44.83 71.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.566 HG13 HD21 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -55.52 -43.4 72.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -42.26 -36.71 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -69.52 -41.75 75.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.645 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 48.3 m-85 -63.8 -34.74 78.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 2.4 mtmp? -40.19 -60.94 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -48.53 -40.72 27.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.244 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -53.31 -55.69 22.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.582 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 60.9 t80 -53.75 -32.2 51.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -59.53 -51.7 68.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.952 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -37.76 -54.55 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.688 ' CB ' HD13 ' A' ' 27' ' ' ILE . 63.0 m-85 -73.82 -45.18 52.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.48 ' HB2' HG12 ' A' ' 27' ' ' ILE . 15.6 t0 -83.99 83.87 7.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.44 -23.46 61.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.422 ' OD1' ' CD ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -74.23 -26.55 60.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 63.98 10.33 39.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -62.71 -34.66 77.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.784 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.32 1.63 8.51 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.572 1.17 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 43.1 p -135.5 142.53 45.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.688 HD13 ' CB ' ' A' ' 19' ' ' PHE . 92.4 mt -109.01 109.57 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.916 HG22 ' CD ' ' A' ' 31' ' ' GLU . 5.6 t -80.18 -151.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.441 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.57 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.4 p -90.03 -47.95 7.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.418 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -62.85 -27.14 69.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.916 ' CD ' HG22 ' A' ' 28' ' ' THR . 38.9 mt-10 -85.18 -17.7 36.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.724 HD23 ' CD2' ' A' ' 48' ' ' LEU . 1.4 tp -89.32 -35.82 15.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.48 -10.49 81.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.34 -60.03 2.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 0.754 . . . . 0.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 t -54.27 -28.05 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -40.8 64.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -19.67 42.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 m -113.41 40.76 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -154.73 24.39 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.81 6.17 71.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.122 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -108.96 174.7 5.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.403 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 57.2 t-20 176.36 65.23 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.01 139.62 24.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.782 . . . . 0.0 111.028 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.2 p -64.41 164.39 11.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.433 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -58.38 -22.38 53.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.27 -46.13 51.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.4 -60.9 3.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.724 ' CD2' HD23 ' A' ' 32' ' ' LEU . 8.3 mt -43.4 -58.58 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -42.71 -43.85 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -36.98 84.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 48' ' ' LEU . 21.6 mtp -73.66 -49.22 27.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 111.034 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.441 ' HA ' HD11 ' A' ' 63' ' ' ILE . 1.4 mt -51.36 -38.12 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -62.3 -22.54 66.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 51' ' ' MET . 19.7 mt-10 -77.57 -26.07 50.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.84 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -119.35 31.72 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -158.4 110.48 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.16 -9.13 21.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.456 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -78.17 -38.47 43.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.81 33.22 34.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.123 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.456 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 35.8 p-10 -78.39 -21.33 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.2 -35.75 4.83 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.442 1.089 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.43 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 10.5 p -101.02 178.38 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 0.736 . . . . 0.0 110.429 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.62 ' CD1' HG23 ' A' ' 55' ' ' VAL . 1.4 mm -121.65 139.63 48.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.62 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.2 m-20 -106.7 -171.13 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.702 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 9.9 t80 -75.11 -44.45 4.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.99 -11.02 21.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.627 ' O ' HG22 ' A' ' 70' ' ' THR . 13.5 mt-10 -99.0 -28.51 13.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.345 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.539 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -89.51 -36.5 15.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.566 HD21 HG13 ' A' ' 9' ' ' ILE . 9.3 mt -38.16 -45.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.84 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.9 t -50.65 -52.65 37.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.4 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.464 ' N ' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -41.88 -52.92 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.539 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.4 mmt -55.55 -52.41 63.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.06 -48.47 61.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.509 ' O ' ' NE ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -121.72 75.83 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.65 -42.86 90.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.566 HD11 HD13 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -56.82 -42.66 78.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -44.23 -38.61 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.1 -37.02 83.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.574 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 9.7 m-85 -73.25 -32.88 64.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.578 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 5.8 mtmm -39.79 -58.69 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.5 -40.45 51.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -57.17 -53.84 53.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.605 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 56.0 t80 -58.64 -32.07 68.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 18' ' ' LEU . 22.8 m -62.62 -49.59 74.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -38.18 -51.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.653 ' CB ' HD13 ' A' ' 27' ' ' ILE . 49.9 m-85 -76.03 -47.14 25.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.29 102.01 4.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.94 35.08 3.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -114.03 -85.31 0.6 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.89 40.88 0.1 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.784 ' OD2' HG22 ' A' ' 26' ' ' THR . 2.1 p30 -124.16 -30.08 3.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.97 24.24 6.11 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.784 HG22 ' OD2' ' A' ' 24' ' ' ASP . 4.6 t -135.86 161.87 34.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.653 HD13 ' CB ' ' A' ' 19' ' ' PHE . 60.9 mt -129.05 102.83 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.679 ' O ' HD11 ' A' ' 52' ' ' ILE . 5.3 t -78.1 -150.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.572 ' N ' ' OG1' ' A' ' 28' ' ' THR . 5.5 p -85.47 -53.37 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -54.45 -58.97 5.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -49.55 -26.06 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.81 HD23 ' CD2' ' A' ' 48' ' ' LEU . 0.8 OUTLIER -82.81 -36.0 25.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 30' ' ' LYS . . . -85.52 7.87 74.44 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.596 1.185 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.43 -48.21 7.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 0.735 . . . . 0.0 110.402 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.59 -23.71 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -42.76 65.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -79.65 -2.67 43.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 t -99.42 13.6 32.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.07 -47.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.55 43.38 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -139.45 176.97 8.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.793 . . . . 0.0 110.27 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 176.41 68.43 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.069 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.4 28.92 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.0 p -60.98 154.81 21.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -52.92 -25.35 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.19 -45.35 70.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.41 -61.2 2.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.81 ' CD2' HD23 ' A' ' 32' ' ' LEU . 8.6 mt -45.96 -58.33 3.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -42.33 -44.46 3.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -38.97 93.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 48' ' ' LEU . 10.5 mtt -70.01 -52.25 25.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.878 HG23 HG12 ' A' ' 63' ' ' ILE . 7.0 mt -54.25 -28.38 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -75.44 -3.87 36.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 51' ' ' MET . 17.4 mt-10 -94.49 -29.37 14.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.825 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -115.7 34.73 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -155.07 89.45 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.37 -9.02 59.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.486 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -79.72 -35.83 38.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.17 35.35 53.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.461 1.101 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.486 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 35.0 p-10 -78.56 -21.96 47.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.59 -27.67 14.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.82 171.26 7.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.878 HG12 HG23 ' A' ' 52' ' ' ILE . 1.5 mm -116.0 142.81 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.582 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 48.8 m-20 -111.75 -168.11 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.7 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 7.5 t80 -79.29 -44.99 1.69 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.7 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.95 -13.68 21.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.607 ' O ' HG22 ' A' ' 70' ' ' THR . 1.2 mm-40 -94.28 -27.15 16.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -92.09 -38.35 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 111.022 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.566 HD13 HD11 ' A' ' 9' ' ' ILE . 9.8 mt -38.47 -41.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.825 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.7 t -54.0 -52.5 60.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.469 ' N ' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -39.9 -49.22 2.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.98 -48.88 76.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.14 -44.27 83.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.88 63.03 0.65 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.76 -36.83 62.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -59.43 -48.7 86.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -38.71 -37.34 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -69.04 -51.48 38.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.61 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 29.8 m-85 -47.01 -31.93 3.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.052 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' PHE . 71.3 mttt -40.36 -58.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -51.88 -42.25 62.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -49.83 -57.4 7.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.672 ' CE1' HD12 ' A' ' 27' ' ' ILE . 60.5 t80 -51.96 -36.69 50.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.8 t -57.91 -51.88 67.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -36.8 -51.73 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.252 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.447 ' CB ' HD13 ' A' ' 27' ' ' ILE . 58.6 m-85 -75.25 -45.58 39.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.48 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 32.4 t0 -80.62 88.63 5.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -59.91 -62.67 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -49.12 -23.07 1.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.122 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.459 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 56.68 18.76 25.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 7.5 p30 -61.23 -28.73 69.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 124.14 4.11 7.9 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 44.2 p -136.96 147.02 46.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.798 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.672 HD12 ' CE1' ' A' ' 16' ' ' PHE . 87.2 mt -114.63 115.8 50.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.665 ' O ' HD11 ' A' ' 52' ' ' ILE . 7.3 t -88.37 -152.32 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.539 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.8 p -81.4 -55.41 4.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 32' ' ' LEU . 2.5 tttt -55.68 -60.82 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -45.92 -25.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.811 HD23 ' CD2' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -84.04 -48.44 9.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.408 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -70.35 -4.66 51.94 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.505 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -76.87 -66.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.407 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.505 ' N ' HG22 ' A' ' 34' ' ' THR . 2.4 t -49.95 -27.81 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -43.89 95.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.436 ' NH2' ' OD1' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -57.22 -17.89 13.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.2 -6.11 59.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.016 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.55 17.03 14.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.8 16.53 74.49 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -101.03 -179.21 3.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.436 ' OD1' ' NH2' ' A' ' 37' ' ' ARG . 15.5 t30 170.47 68.75 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 127.41 10.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.451 1.764 . . . . 0.0 110.963 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.8 p -44.64 161.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.427 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -58.94 -28.78 66.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.11 -44.5 79.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -59.99 -62.01 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.811 ' CD2' HD23 ' A' ' 32' ' ' LEU . 7.1 mt -43.74 -58.08 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -38.85 -44.1 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.15 -45.69 83.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.8 mtt -60.98 -42.66 98.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.968 HG23 HG12 ' A' ' 63' ' ' ILE . 5.6 mt -66.35 -29.05 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -90.69 7.51 39.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 51' ' ' MET . 1.2 mt-10 -98.08 -17.4 19.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.644 HG23 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -119.52 -40.19 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -72.9 106.77 4.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.02 -6.16 51.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.457 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -83.39 -33.59 25.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.48 33.7 55.66 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.457 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 48.7 p-10 -74.66 -22.74 58.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 109.14 -29.9 9.18 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 p -108.98 -177.43 3.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 0.737 . . . . 0.0 110.432 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.968 HG12 HG23 ' A' ' 52' ' ' ILE . 1.1 mm -123.82 141.13 45.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.625 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 15.8 m-20 -106.43 -169.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.708 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 16.9 t80 -78.33 -43.76 2.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.826 ' HA ' HD12 ' A' ' 69' ' ' LEU . 18.0 Cg_endo -75.07 -20.4 16.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.467 1.772 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.523 ' O ' HG22 ' A' ' 70' ' ' THR . 19.3 mt-10 -87.59 -22.54 24.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.578 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -92.77 -31.4 15.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.826 HD12 ' HA ' ' A' ' 66' ' ' PRO . 8.0 mt -47.8 -35.07 9.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -65.07 -36.66 85.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.424 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -59.07 -41.97 89.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.578 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.1 mmt -67.76 -40.75 84.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.82 -44.9 88.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.62 59.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -48.62 55.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -54.48 -46.95 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . -39.12 -38.03 0.44 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.158 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -67.83 -47.53 68.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.708 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 45.2 m-85 -56.33 -31.83 64.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' PHE . 31.4 mttt -39.26 -65.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.097 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -45.29 -38.71 5.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -56.61 -55.73 30.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.553 ' CE1' HD12 ' A' ' 27' ' ' ILE . 79.9 t80 -57.86 -36.74 72.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 18' ' ' LEU . 8.5 t -56.38 -52.13 65.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -37.43 -53.13 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CB ' HD13 ' A' ' 27' ' ' ILE . 51.9 m-85 -72.63 -46.86 51.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 17.4 t0 -80.81 92.37 6.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -67.28 -58.08 5.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -49.18 -23.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 59.51 15.58 32.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 36.8 p-10 -61.29 -32.01 71.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.41 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 127.29 -0.09 6.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 81.8 p -130.01 152.07 49.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.568 HD13 ' CB ' ' A' ' 19' ' ' PHE . 94.3 mt -119.45 102.88 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.535 ' OG1' ' N ' ' A' ' 29' ' ' THR . 7.4 t -76.61 -152.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.535 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.2 p -88.14 -45.35 10.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -40.89 97.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -71.76 -17.97 62.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.872 HD23 ' CD2' ' A' ' 48' ' ' LEU . 1.1 tp -91.39 -29.91 16.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.07 6.94 81.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -93.93 -64.17 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.78 . . . . 0.0 110.404 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.472 ' N ' HG22 ' A' ' 34' ' ' THR . 2.1 t -46.3 -25.85 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -69.71 -42.16 74.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' THR . 71.3 mtm180 -53.42 -21.66 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.247 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 m -109.79 30.14 6.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.62 20.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.09 20.77 75.12 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -120.71 173.63 7.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 0.737 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 175.55 66.53 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.07 33.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.5 p -70.5 161.14 31.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.425 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.445 ' HA ' HD12 ' A' ' 48' ' ' LEU . 1.2 mt-10 -54.54 -25.85 28.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.08 -48.84 56.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.24 -58.34 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.872 ' CD2' HD23 ' A' ' 32' ' ' LEU . 7.6 mt -45.23 -59.75 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -39.65 -49.17 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.48 -41.57 98.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' LEU . 9.1 mtp -66.86 -56.93 8.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.431 HG23 HG12 ' A' ' 63' ' ' ILE . 1.3 mt -44.55 -46.56 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -49.81 -37.87 32.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 51' ' ' MET . 15.3 mt-10 -59.54 -35.05 73.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.822 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -113.11 32.28 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.251 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.28 100.47 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.23 -12.04 26.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.483 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -76.64 -40.83 47.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.06 32.42 26.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.483 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 35.1 p-10 -80.37 -18.34 49.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.779 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.65 -29.13 12.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.41 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 1.4 m -103.08 168.07 9.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 110.404 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.631 HD11 HG23 ' A' ' 55' ' ' VAL . 1.5 mm -114.46 141.73 29.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.623 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 25.8 m-20 -114.04 -173.02 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.685 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 7.9 t80 -72.94 -44.79 8.51 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.98 -9.55 20.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.66 ' O ' HG22 ' A' ' 70' ' ' THR . 1.2 mm-40 -99.12 -29.22 12.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.541 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -91.76 -35.65 14.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.477 HD21 HG13 ' A' ' 9' ' ' ILE . 12.4 mt -40.46 -38.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.822 ' CG2' HG12 ' A' ' 55' ' ' VAL . 2.1 t -58.97 -47.22 85.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -45.34 -58.96 2.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.541 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.1 mmt -55.05 -38.63 68.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.26 -45.54 76.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.68 57.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.428 ' NE2' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -63.88 -54.17 39.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.483 HG13 HD21 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -48.11 -48.88 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.452 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -38.63 -37.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.428 ' CD ' ' NE2' ' A' ' 8' ' ' GLN . 52.3 mt-10 -67.92 -53.14 28.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.668 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 8.1 m-85 -49.02 -28.65 4.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 1.3 mttm -39.77 -60.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -49.61 -40.15 38.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -52.16 -56.06 16.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.597 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 63.7 t80 -53.56 -32.93 52.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.7 m -57.52 -51.36 69.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -38.05 -58.95 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.677 ' CB ' HD13 ' A' ' 27' ' ' ILE . 66.0 m-85 -67.58 -46.25 73.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.429 ' HB2' HG12 ' A' ' 27' ' ' ILE . 5.5 t0 -79.63 94.59 5.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -88.58 9.43 24.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -105.94 -18.14 14.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.18 15.22 13.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 111.067 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 35.1 p-10 -74.53 -37.57 63.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.774 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 125.51 2.59 7.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.554 1.159 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.456 ' HB ' ' CG2' ' A' ' 62' ' ' THR . 19.5 p -132.3 146.01 51.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 110.374 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.677 HD13 ' CB ' ' A' ' 19' ' ' PHE . 90.0 mt -114.91 102.42 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 29' ' ' THR . 9.7 t -76.0 -152.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.504 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.5 p -86.74 -45.66 10.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.373 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -59.81 -48.33 82.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -62.61 -26.09 68.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.81 HD23 ' CD2' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -83.72 -37.99 21.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.49 7.08 58.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.727 HG23 HH21 ' A' ' 37' ' ' ARG . 0.7 OUTLIER -92.28 -69.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.403 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.666 ' N ' HG22 ' A' ' 34' ' ' THR . 2.6 t -46.39 -25.5 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' GLN . 0.9 OUTLIER -59.16 -43.99 92.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.727 HH21 HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -76.73 -0.51 23.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 m -94.99 -14.63 24.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.8 -31.49 6.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.11 43.61 0.18 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' MET . 21.4 mt-30 -133.81 175.15 9.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.427 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 11.0 t-20 176.88 64.02 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.01 159.31 41.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.9 p -73.09 173.36 9.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -71.95 -16.75 62.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.93 -45.8 23.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.91 -60.49 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.81 ' CD2' HD23 ' A' ' 32' ' ' LEU . 8.3 mt -42.51 -59.04 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -42.45 -42.44 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -39.1 84.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' LEU . 6.4 mtt -69.37 -56.62 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.779 HG23 HG12 ' A' ' 63' ' ' ILE . 5.8 mt -44.68 -46.52 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -50.76 -41.96 57.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 51' ' ' MET . 12.0 mt-10 -57.01 -34.48 68.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.84 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -111.49 30.11 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -154.05 102.25 2.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.92 -11.27 26.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.464 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -76.89 -40.07 48.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.42 32.5 25.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.464 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 31.2 p-10 -81.06 -17.81 48.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.4 -29.45 11.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.456 ' CG2' ' HB ' ' A' ' 26' ' ' THR . 1.5 m -101.81 168.23 9.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.779 HG12 HG23 ' A' ' 52' ' ' ILE . 1.2 mm -115.34 131.73 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.651 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 27.0 m-20 -103.55 178.79 4.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.747 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 24.3 t80 -66.15 -44.45 59.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.747 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -75.08 -9.84 20.83 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.452 1.764 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.618 ' O ' HG22 ' A' ' 70' ' ' THR . 1.3 mm-40 -99.95 -28.94 12.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -89.89 -32.8 16.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.483 HD21 HG13 ' A' ' 9' ' ' ILE . 9.9 mt -41.62 -44.59 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.84 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.7 t -52.54 -46.97 66.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -47.02 -53.45 12.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.499 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.8 mmt -53.81 -50.87 65.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.75 -50.93 9.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 74' ' ' ARG . 24.8 mtm105 -92.09 48.63 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.8 -46.26 38.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.604 HD11 HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -55.81 -39.57 56.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.36 -40.23 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -66.39 -42.01 88.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.674 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 56.3 m-85 -64.99 -34.46 78.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.534 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 14.8 mttt -40.67 -64.14 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -45.11 -38.92 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -58.22 -55.89 29.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.634 ' CD1' ' CD1' ' A' ' 27' ' ' ILE . 48.3 t80 -57.74 -31.68 66.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER -61.92 -49.02 77.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 109.99 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.5 -66.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.555 ' CB ' HD13 ' A' ' 27' ' ' ILE . 35.1 m-85 -56.37 -47.53 78.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.499 ' CG ' ' N ' ' A' ' 21' ' ' LYS . 1.8 t70 -68.78 169.4 11.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.499 ' N ' ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -178.28 37.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -137.09 10.64 3.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 37.49 29.05 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 22' ' ' ASP . 5.4 p-10 -98.89 -33.55 10.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.24 21.74 7.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -133.77 160.67 36.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 110.383 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.634 ' CD1' ' CD1' ' A' ' 16' ' ' PHE . 67.8 mt -129.83 86.91 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.628 HG22 ' OE2' ' A' ' 31' ' ' GLU . 8.8 t -63.83 -154.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.408 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.52 ' N ' ' OG1' ' A' ' 28' ' ' THR . 3.4 p -89.29 -57.49 2.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.23 -33.47 5.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.628 ' OE2' HG22 ' A' ' 28' ' ' THR . 33.5 mt-10 -76.98 -34.74 57.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.815 ' HB3' HD22 ' A' ' 48' ' ' LEU . 2.1 tp -72.05 -27.32 62.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.02 -2.31 64.55 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.82 -61.31 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.435 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 2.2 t -49.67 -27.79 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -44.14 85.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -55.49 -20.74 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 t -82.7 -7.2 59.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.52 9.6 15.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.47 23.58 67.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -109.61 179.91 4.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 176.58 72.21 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 139.91 24.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.773 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.6 p -59.23 161.19 5.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.346 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.84 -21.56 61.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.13 -45.21 61.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.79 -60.08 4.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.815 HD22 ' HB3' ' A' ' 32' ' ' LEU . 7.8 mt -45.99 -59.21 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -40.68 -44.94 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.39 -42.51 96.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.8 mtt -66.4 -58.15 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.825 HG23 HG12 ' A' ' 63' ' ' ILE . 6.3 mt -43.65 -48.11 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -48.62 -45.85 38.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -53.06 -36.0 60.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.803 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -111.16 33.38 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -156.33 97.74 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.51 -11.08 32.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.474 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -77.92 -36.75 49.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.48 33.47 38.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.441 1.088 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.474 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 46.6 p-10 -78.71 -20.98 48.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 0.718 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 103.12 -28.26 16.52 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.424 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 10.3 p -106.55 170.29 8.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.825 HG12 HG23 ' A' ' 52' ' ' ILE . 1.1 mm -114.76 138.39 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.606 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 7.0 m-20 -106.5 -169.53 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.693 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 10.7 t80 -79.06 -44.2 1.74 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.693 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.5 Cg_endo -74.98 -13.91 21.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.459 1.768 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.609 ' O ' HG22 ' A' ' 70' ' ' THR . 16.4 mt-10 -94.76 -24.9 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.0 OUTLIER -93.46 -35.57 12.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.604 HD13 HD11 ' A' ' 9' ' ' ILE . 10.8 mt -41.7 -38.59 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.803 ' CG2' HG12 ' A' ' 55' ' ' VAL . 2.1 t -58.44 -45.37 88.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -46.49 -50.69 16.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 111.048 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.47 -43.54 98.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.36 -44.83 62.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 75' ' ' LYS . 4.3 mtp85 -97.66 48.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 74' ' ' ARG . 7.9 mtpt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -46.18 55.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.546 HG13 HD21 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -55.75 -42.26 69.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -45.08 -38.63 5.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -66.41 -37.67 85.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.521 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 10.8 m-85 -72.86 -34.81 67.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 3.1 mtmm -37.91 -55.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -54.52 -44.33 72.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -49.82 -55.71 13.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.618 ' CE1' HD12 ' A' ' 27' ' ' ILE . 67.3 t80 -52.39 -32.82 40.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.5 t -60.24 -52.65 64.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -38.11 -58.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.498 ' CB ' HD13 ' A' ' 27' ' ' ILE . 38.4 m-85 -66.48 -42.87 86.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -79.17 91.76 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.92 21.9 8.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -118.89 -6.99 10.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.48 73.12 0.22 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 32.0 p-10 -137.53 -43.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 136.94 -7.13 3.8 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 11.4 p -121.79 165.94 15.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.414 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.618 HD12 ' CE1' ' A' ' 16' ' ' PHE . 90.0 mt -132.3 94.94 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.5 ' OG1' ' N ' ' A' ' 29' ' ' THR . 9.9 t -71.12 -154.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.5 ' N ' ' OG1' ' A' ' 28' ' ' THR . 12.5 p -87.04 -51.1 6.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.381 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.51 -36.43 66.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -76.57 -22.28 54.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.624 HD22 HG13 ' A' ' 52' ' ' ILE . 4.1 tp -83.19 -28.49 29.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 36' ' ' MET . . . -87.08 -38.05 8.06 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.539 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.7 OUTLIER -42.09 -63.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.777 . . . . 0.0 110.38 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.539 ' N ' HG22 ' A' ' 34' ' ' THR . 2.4 t -46.97 -40.7 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -67.41 -40.55 85.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.983 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.424 ' CZ ' ' ND2' ' A' ' 42' ' ' ASN . 2.3 mmt180 -46.86 -33.82 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -112.66 42.32 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -147.68 35.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 57.34 16.83 22.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.418 ' O ' ' OD1' ' A' ' 42' ' ' ASN . 31.3 mt-30 -120.16 175.65 5.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 110.338 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.424 ' ND2' ' CZ ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER 177.99 64.68 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.4 Cg_endo -74.95 125.89 9.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.7 p -50.95 175.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.374 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.77 -14.93 62.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.72 -45.5 15.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.97 -58.48 8.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.547 HD22 ' HB3' ' A' ' 32' ' ' LEU . 9.2 mt -44.26 -59.11 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -41.42 -46.05 3.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -42.13 98.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 48' ' ' LEU . 8.4 mtt -65.02 -49.32 70.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.624 HG13 HD22 ' A' ' 32' ' ' LEU . 1.7 mt -61.04 -25.79 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -82.36 6.97 15.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 51' ' ' MET . 3.7 mt-10 -104.77 -21.27 13.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.902 HG12 HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -111.72 -44.27 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 21.2 t70 -75.71 105.51 6.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.27 -13.93 27.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.464 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -75.43 -36.22 60.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.89 32.27 33.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.1 . . . . 0.0 110.98 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.464 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 30.4 p-10 -79.48 -19.87 48.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.18 -37.25 3.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.123 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 m -97.5 165.72 11.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 110.415 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.589 HD11 HG23 ' A' ' 55' ' ' VAL . 1.8 mm -114.83 137.47 48.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.641 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.2 m-20 -110.17 -169.38 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.663 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 5.4 t80 -74.28 -44.07 5.93 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.663 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.94 -11.27 21.58 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' A' ' 64' ' ' ASP . 11.6 mt-10 -99.6 -21.2 15.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.54 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -98.39 -32.56 11.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.546 HD21 HG13 ' A' ' 9' ' ' ILE . 13.8 mt -46.49 -29.93 1.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.902 HG23 HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -68.4 -39.18 81.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.377 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -55.96 -41.22 74.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.54 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.3 mmt -70.49 -41.29 72.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.73 91.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.57 63.39 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.03 -48.58 20.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.646 HD11 HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -54.23 -44.09 63.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.21 -38.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.58 -43.8 79.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.641 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 58.6 m-85 -62.28 -33.69 75.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 19.4 mttm -39.93 -62.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -47.1 -39.33 13.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -58.25 -56.87 16.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.601 ' CD1' ' CD1' ' A' ' 27' ' ' ILE . 28.7 t80 -50.69 -32.25 18.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.8 t -62.45 -53.49 54.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.948 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.504 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -35.85 -47.13 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.6 ' CB ' HD13 ' A' ' 27' ' ' ILE . 50.5 m-85 -83.58 -49.22 9.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.411 ' HB2' HG12 ' A' ' 27' ' ' ILE . 1.7 t70 -73.37 110.99 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.42 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -145.11 61.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -146.98 -47.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.435 ' N ' ' CG ' ' A' ' 22' ' ' ASP . . . 110.4 92.89 2.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.418 ' H ' ' H ' ' A' ' 25' ' ' GLY . 17.0 p30 167.34 24.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.749 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.418 ' H ' ' H ' ' A' ' 24' ' ' ASP . . . 40.48 39.04 1.6 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.511 HG23 ' OG1' ' A' ' 62' ' ' THR . 0.5 OUTLIER -143.34 156.81 44.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.384 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.601 ' CD1' ' CD1' ' A' ' 16' ' ' PHE . 77.8 mt -122.88 80.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' A' ' 29' ' ' THR . 9.8 t -58.73 -153.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.449 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.498 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.1 p -84.8 -61.92 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.43 -54.22 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.42 ' OE2' ' N ' ' A' ' 21' ' ' LYS . 49.1 mt-10 -56.71 -42.87 79.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.639 HD23 ' CD2' ' A' ' 48' ' ' LEU . 1.1 tp -65.91 -24.02 66.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.94 18.34 55.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.3 -44.5 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.754 . . . . 0.0 110.397 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 2.2 t -67.61 -25.92 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.25 -42.46 68.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 111.046 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -78.33 -2.42 38.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t -97.78 10.16 40.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.95 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.81 -72.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.28 34.64 0.08 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -132.35 -179.03 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 0.741 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 176.04 71.41 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 155.77 43.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.2 p -78.88 154.74 29.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.38 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.34 -22.84 1.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.352 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.14 -45.01 51.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.365 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.36 -59.9 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.639 ' CD2' HD23 ' A' ' 32' ' ' LEU . 6.2 mt -43.03 -57.91 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -43.02 -42.92 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -37.21 81.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 48' ' ' LEU . 7.5 mtp -72.49 -52.51 15.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.509 HG13 HD22 ' A' ' 32' ' ' LEU . 1.7 mt -46.83 -45.64 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -51.43 -32.62 27.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 51' ' ' MET . 29.2 mt-10 -63.15 -33.3 75.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.863 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -117.16 33.15 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.252 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.16 100.81 2.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.5 -9.1 30.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.504 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -79.32 -36.93 38.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.24 34.87 39.72 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.504 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 52.9 p-10 -79.85 -20.42 46.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.492 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 104.48 -28.56 14.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.511 ' OG1' HG23 ' A' ' 26' ' ' THR . 6.1 t -108.34 172.29 6.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 110.397 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.675 ' CD1' HG23 ' A' ' 55' ' ' VAL . 1.5 mm -114.98 145.32 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.596 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 2.2 m-20 -114.19 -169.98 1.63 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.723 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 12.4 t80 -77.44 -44.81 2.62 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.723 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.03 -13.19 21.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.801 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.625 ' O ' HG22 ' A' ' 70' ' ' THR . 1.1 mm-40 -94.37 -27.72 15.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -90.72 -36.87 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.97 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.646 HD13 HD11 ' A' ' 9' ' ' ILE . 8.9 mt -39.42 -43.88 1.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.863 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.3 t -51.84 -50.99 59.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.403 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -42.71 -56.7 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.473 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.4 mmt -54.77 -41.93 71.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 70' ' ' THR . . . -47.13 -44.33 21.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -104.71 60.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.4 mm-40 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -53.46 54.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -48.01 -48.19 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.44 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -40.28 -38.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -72.19 -46.31 56.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.567 ' CD2' HD23 ' A' ' 69' ' ' LEU . 20.8 m-85 -52.36 -30.48 29.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' PHE . 7.7 mttm -40.31 -55.34 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -54.0 -42.68 69.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -51.28 -54.59 24.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.689 ' CE1' ' CD1' ' A' ' 27' ' ' ILE . 47.4 t80 -51.78 -33.64 36.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.3 m -61.63 -52.12 65.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.986 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -36.11 -57.11 0.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.692 ' CE1' HG11 ' A' ' 35' ' ' VAL . 4.0 m-30 -67.87 -45.56 74.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.402 ' HB2' HG12 ' A' ' 27' ' ' ILE . 2.2 t70 -73.47 85.93 1.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.73 19.93 4.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -116.28 -10.53 11.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 44.58 74.76 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -139.62 -43.91 0.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 0.779 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.49 -8.98 3.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 7.0 p -120.64 169.74 10.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 0.717 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.689 ' CD1' ' CE1' ' A' ' 16' ' ' PHE . 71.3 mt -135.62 107.86 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.668 ' O ' HD11 ' A' ' 52' ' ' ILE . 4.8 t -80.92 -149.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.583 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.1 p -90.85 -52.8 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -56.78 -31.65 64.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.42 ' H ' HG23 ' A' ' 28' ' ' THR . 57.4 mt-10 -80.61 -17.16 52.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.71 HD23 HD23 ' A' ' 48' ' ' LEU . 1.1 tp -91.38 -30.56 16.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.07 1.62 70.67 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.23 -34.33 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.692 HG11 ' CE1' ' A' ' 19' ' ' PHE . 2.5 t -83.78 -25.16 7.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -35.48 69.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.74 13.26 7.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.97 -37.08 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.35 -76.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.14 30.7 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.465 1.103 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -127.88 -176.68 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.431 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 33.2 t30 177.1 63.79 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.02 139.8 24.66 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.42 ' H ' HG23 ' A' ' 44' ' ' THR . 35.8 p -58.12 178.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.14 -20.32 60.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.83 -46.32 25.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -56.78 -57.48 12.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.238 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.71 HD23 HD23 ' A' ' 32' ' ' LEU . 7.6 mt -46.72 -60.65 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' LEU . 15.6 tp60 -37.44 -40.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.462 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 0.3 OUTLIER -71.81 -51.12 24.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.458 ' O ' HG22 ' A' ' 55' ' ' VAL . 22.2 mtt -52.16 -33.85 42.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.822 HG23 HG12 ' A' ' 63' ' ' ILE . 2.4 mt -70.67 -51.17 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.544 ' OD1' ' C ' ' A' ' 53' ' ' ASN . 21.1 p30 -76.31 -0.16 21.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 1.2 mm-40 -84.46 -19.1 33.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.622 HG23 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -118.73 -43.72 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 109.346 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -66.12 122.41 17.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.11 -6.88 17.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.491 ' OD2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -81.33 -36.49 29.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.91 30.92 45.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.491 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 43.2 p-10 -72.96 -22.37 60.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.31 -26.88 18.87 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.8 p -110.76 178.45 4.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 0.749 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.822 HG12 HG23 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -119.98 137.86 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.613 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 5.3 m-20 -101.91 -169.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.693 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 13.4 t80 -78.13 -44.06 2.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 1.009 ' HA ' HD12 ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.03 -25.67 11.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.441 1.758 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.521 ' O ' ' CG2' ' A' ' 70' ' ' THR . 26.8 mt-10 -81.84 -21.59 37.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -91.79 -34.38 14.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.009 HD12 ' HA ' ' A' ' 66' ' ' PRO . 4.9 mt -43.37 -44.03 5.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -52.8 -46.47 67.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.424 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -44.5 48.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -42.33 95.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.1 -47.06 81.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -108.38 60.04 0.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -73.31 -45.7 53.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.53 HD11 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -56.66 -47.47 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.427 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -39.94 -39.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -69.46 -46.39 66.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.735 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 7.5 m-85 -56.48 -30.06 62.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 111.047 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.438 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 15.8 mttp -39.7 -64.07 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -46.17 -38.66 8.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -52.48 -55.43 22.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.54 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 66.4 t80 -53.47 -36.37 61.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.4 t -57.16 -52.24 66.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.961 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -36.89 -45.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.62 ' CB ' HD13 ' A' ' 27' ' ' ILE . 43.0 m-85 -83.8 -45.64 13.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.497 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 19.2 t0 -83.18 87.88 6.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -58.62 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.41 ' OD2' ' CD ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -49.29 -23.29 1.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 59.87 15.45 35.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 41.8 p-10 -59.35 -33.94 71.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.776 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.458 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 128.04 -0.59 6.63 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 47.3 p -132.23 146.33 51.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 110.387 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.62 HD13 ' CB ' ' A' ' 19' ' ' PHE . 87.4 mt -113.19 101.96 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.65 HG22 ' HG3' ' A' ' 31' ' ' GLU . 6.5 t -74.97 -152.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.362 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.549 ' N ' ' OG1' ' A' ' 28' ' ' THR . 25.1 p -89.3 -49.63 6.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.398 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -30.9 65.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.65 ' HG3' HG22 ' A' ' 28' ' ' THR . 1.4 mm-40 -80.43 -25.17 39.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.837 ' HB3' HD22 ' A' ' 48' ' ' LEU . 2.6 tp -80.97 -20.1 42.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.16 23.13 32.86 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.428 ' HA ' ' NE ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -111.41 -30.89 7.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 110.355 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 2.3 t -82.95 -25.72 8.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -42.93 65.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 34' ' ' THR . 6.1 ptp180 -58.42 -17.07 17.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 m -92.4 6.27 47.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.988 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.8 1.98 8.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.94 28.03 22.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.67 -178.94 3.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 110.362 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.8 t30 175.69 72.17 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 138.44 22.98 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.8 p -60.51 156.53 16.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.385 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -52.86 -28.39 22.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.84 -44.7 80.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -58.77 -61.77 2.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.837 HD22 ' HB3' ' A' ' 32' ' ' LEU . 8.8 mt -45.03 -59.27 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -41.46 -42.43 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.281 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -40.73 82.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' LEU . 10.1 mtp -67.28 -58.46 4.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.782 HG23 HG12 ' A' ' 63' ' ' ILE . 5.9 mt -43.25 -47.45 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -50.66 -41.9 55.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' MET . 11.9 mt-10 -58.08 -30.82 66.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.975 HG12 HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -115.11 32.55 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.35 104.48 2.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.41 -14.35 22.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.483 ' OD2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -73.11 -44.08 60.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.32 30.19 17.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.483 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 50.3 p-10 -81.07 -17.99 48.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.466 ' O ' HG21 ' A' ' 52' ' ' ILE . . . 97.7 -30.72 8.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.413 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 2.6 p -98.41 167.61 10.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.782 HG12 HG23 ' A' ' 52' ' ' ILE . 1.1 mm -116.09 130.89 70.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.634 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.6 m-20 -102.11 -174.59 2.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.72 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 7.9 t80 -68.5 -45.16 36.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -74.99 -9.23 20.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.582 ' O ' HG22 ' A' ' 70' ' ' THR . 1.5 mm-40 -99.89 -27.54 13.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.581 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -93.18 -31.33 14.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.53 HD22 HD11 ' A' ' 9' ' ' ILE . 12.8 mt -46.46 -31.23 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.975 HG23 HG12 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -69.57 -37.42 76.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -54.88 -59.45 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.581 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -52.54 -39.65 61.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.02 -55.75 29.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -117.93 71.37 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 1.016 ' OXT' ' CG ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.45 -43.33 99.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.585 HD11 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -55.81 -47.93 78.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.431 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -42.38 -36.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -70.44 -43.02 70.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.624 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 4.0 m-85 -61.86 -32.17 72.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.551 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 72.8 mttt -38.25 -59.18 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -51.04 -42.34 60.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -49.42 -53.33 23.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.522 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 77.0 t80 -53.05 -36.91 61.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -54.55 -52.57 61.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.982 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.469 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -35.79 -51.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.59 ' CB ' HD13 ' A' ' 27' ' ' ILE . 67.8 m-85 -76.53 -42.84 41.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.51 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 24.8 t0 -86.66 93.12 9.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -60.16 3.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -49.47 -24.23 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 61.68 16.95 52.87 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 35.7 p-10 -60.75 -33.67 73.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 130.23 -11.79 5.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.408 HG22 ' OD1' ' A' ' 64' ' ' ASP . 67.9 p -121.08 146.55 46.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.59 HD13 ' CB ' ' A' ' 19' ' ' PHE . 78.5 mt -113.86 105.92 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.516 ' OG1' ' N ' ' A' ' 29' ' ' THR . 9.3 t -76.77 -152.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.358 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.516 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.9 p -83.06 -57.69 3.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 34' ' ' THR . 3.5 tttt -51.72 -55.7 18.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -53.92 -20.68 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.786 HD23 ' CD2' ' A' ' 48' ' ' LEU . 1.7 tp -88.02 -42.99 12.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.7 -10.83 85.98 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.524 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -71.64 -67.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 110.431 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.524 ' N ' HG22 ' A' ' 34' ' ' THR . 2.1 t -45.26 -31.63 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -44.92 89.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -69.21 -26.48 64.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.3 p -88.0 3.51 48.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.26 -78.52 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.39 34.97 0.08 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -137.21 -175.66 4.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 t30 176.99 65.54 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.553 ' HG2' HD21 ' A' ' 48' ' ' LEU . 18.1 Cg_endo -75.08 144.0 29.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.456 1.767 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.5 p -70.78 162.6 28.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -55.84 -19.2 10.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.86 -45.93 19.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.45 -61.44 2.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.786 ' CD2' HD23 ' A' ' 32' ' ' LEU . 9.4 mt -41.72 -57.82 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 48' ' ' LEU . 2.9 tp60 -38.06 -43.85 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.38 -44.2 68.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 48' ' ' LEU . 13.0 mtt -61.72 -38.54 88.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.572 HG23 HG12 ' A' ' 63' ' ' ILE . 1.8 mt -65.44 -50.74 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -62.83 -40.31 97.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -40.7 -34.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.53 HG23 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -111.91 -49.27 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 1.6 t70 -62.56 95.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.41 -8.55 50.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.469 ' OD2' ' CB ' ' A' ' 60' ' ' ASN . 4.8 p-10 -77.87 -26.89 49.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 53.95 38.24 59.84 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.445 1.09 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.469 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 2.8 p-10 -102.63 -5.01 24.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 0.799 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.71 ' C ' HG23 ' A' ' 62' ' ' THR . . . 97.55 143.4 14.84 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.71 HG23 ' C ' ' A' ' 61' ' ' GLY . 1.0 OUTLIER 65.66 172.56 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 110.421 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.572 HG12 HG23 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -123.71 135.17 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.642 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 12.7 m-20 -103.39 -173.34 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.701 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 5.8 t80 -66.4 -45.01 58.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.96 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.701 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.96 -9.07 20.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.492 ' HB2' HG23 ' A' ' 63' ' ' ILE . 3.0 mm-40 -100.84 -27.45 13.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.574 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -93.66 -30.05 15.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.585 HD22 HD11 ' A' ' 9' ' ' ILE . 11.0 mt -46.0 -32.8 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -69.63 -38.29 77.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -52.81 -53.17 52.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.574 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -57.98 -43.99 86.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.51 -46.75 70.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -111.87 62.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.449 ' OE1' ' CA ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -76.23 -50.47 14.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.645 HD11 HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -54.06 -43.34 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -42.63 -39.95 2.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -65.56 -41.17 93.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.557 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 49.4 m-85 -66.53 -35.9 81.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.575 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 13.3 mttt -39.4 -58.38 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -50.83 -41.62 57.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -55.91 -54.99 38.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.579 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 41.1 t80 -53.72 -31.53 48.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -61.33 -50.85 71.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -39.48 -61.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.689 ' CB ' HD13 ' A' ' 27' ' ' ILE . 49.6 m-85 -64.73 -45.81 84.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 3.7 t70 -76.87 84.33 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.96 22.52 5.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -115.73 -13.88 11.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.02 79.81 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.568 ' OD2' HG22 ' A' ' 26' ' ' THR . 7.0 p-10 -146.85 -41.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 0.817 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 128.06 6.69 4.81 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.142 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.568 HG22 ' OD2' ' A' ' 24' ' ' ASP . 0.7 OUTLIER -137.54 152.93 49.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.405 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.689 HD13 ' CB ' ' A' ' 19' ' ' PHE . 71.4 mt -118.87 102.61 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.616 HG22 ' CD ' ' A' ' 31' ' ' GLU . 6.7 t -74.81 -152.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.423 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.549 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.1 p -89.18 -51.64 5.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 110.412 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.59 -31.76 66.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.616 ' CD ' HG22 ' A' ' 28' ' ' THR . 50.0 mt-10 -79.61 -24.47 41.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.723 HD23 HD22 ' A' ' 48' ' ' LEU . 1.9 tp -82.26 -27.59 32.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.92 0.5 60.69 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.04 -39.53 21.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.357 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -73.97 -25.12 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.02 -39.89 60.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -78.48 -9.24 59.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.14 -11.6 57.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.048 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.04 -77.25 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.56 31.99 0.1 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -125.05 -176.49 3.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 110.245 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.5 t30 176.09 70.29 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HG2' HD21 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.99 124.08 8.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.483 1.78 . . . . 0.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 44' ' ' THR . 60.7 p -50.27 156.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -52.45 -30.57 30.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.49 -44.05 92.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.7 -62.95 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.723 HD22 HD23 ' A' ' 32' ' ' LEU . 12.1 mt -44.32 -59.17 2.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -40.79 -44.68 2.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -39.63 88.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.513 ' N ' ' O ' ' A' ' 48' ' ' LEU . 59.1 mtp -70.0 -54.67 12.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.539 ' HA ' HD11 ' A' ' 63' ' ' ILE . 1.2 mt -45.54 -45.65 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -52.55 -36.21 55.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 51' ' ' MET . 10.1 mt-10 -63.07 -31.22 72.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.815 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -115.89 34.26 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -158.66 95.29 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.89 -8.42 49.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -80.6 -35.66 33.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.52 34.49 49.76 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 40.9 p-10 -77.11 -21.46 54.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.13 -29.12 11.1 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.442 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 43.7 p -109.59 -178.45 3.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 0.738 . . . . 0.0 110.377 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.673 ' CD1' HG23 ' A' ' 55' ' ' VAL . 1.2 mm -121.49 145.64 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.6 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.2 m-20 -113.27 -170.14 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.704 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 9.1 t80 -76.37 -44.99 3.5 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.704 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.97 -13.0 21.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.603 ' O ' HG22 ' A' ' 70' ' ' THR . 0.9 OUTLIER -95.26 -26.7 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.548 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -91.99 -38.01 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.645 HD13 HD11 ' A' ' 9' ' ' ILE . 11.1 mt -38.63 -42.02 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.815 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.2 t -56.31 -50.03 72.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.444 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -42.98 -52.0 5.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.548 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -58.37 -48.98 78.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.46 -44.84 46.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -116.83 68.76 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -65.52 -53.2 45.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.586 HD11 HD22 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -49.31 -48.66 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . -36.93 -39.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -68.15 -52.72 31.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.583 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 37.8 m-85 -45.75 -26.26 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -41.87 -59.24 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.63 -44.64 63.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -47.35 -55.86 8.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.562 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 58.3 t80 -53.95 -34.07 58.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -59.17 -50.29 74.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -36.77 -53.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.621 ' CB ' HD13 ' A' ' 27' ' ' ILE . 75.4 m-85 -75.14 -44.61 46.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.498 ' HB2' HG12 ' A' ' 27' ' ' ILE . 22.0 t0 -82.67 87.96 6.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -63.04 -59.15 5.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.64 -22.57 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.47 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 56.99 16.38 17.9 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 p30 -60.52 -27.33 67.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.6 7.98 8.57 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 12.1 p -139.7 149.79 44.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 110.424 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.621 HD13 ' CB ' ' A' ' 19' ' ' PHE . 82.4 mt -116.77 108.09 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.37 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.586 ' OG1' ' N ' ' A' ' 29' ' ' THR . 5.0 t -79.77 -150.84 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.394 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.586 ' N ' ' OG1' ' A' ' 28' ' ' THR . 15.8 p -89.62 -47.87 7.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.456 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -61.51 -41.09 96.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.544 ' OE2' HG22 ' A' ' 28' ' ' THR . 41.3 mt-10 -69.24 -21.89 63.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.788 HD23 ' CD2' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -86.35 -37.64 18.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.27 6.44 76.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -90.35 -61.94 1.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 110.422 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.412 ' N ' HG22 ' A' ' 34' ' ' THR . 2.1 t -50.47 -25.5 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -29.8 68.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.458 ' NH2' ' CG ' ' A' ' 42' ' ' ASN . 1.3 mmt180 -50.72 -52.79 37.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.6 m -52.52 -29.85 27.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -92.87 36.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 38.03 29.7 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' LEU . 10.3 mt-30 -105.89 -178.29 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 0.739 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.458 ' CG ' ' NH2' ' A' ' 37' ' ' ARG . 14.7 t-20 170.17 74.11 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HG2' HD21 ' A' ' 48' ' ' LEU . 18.2 Cg_endo -75.04 130.82 13.58 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.82 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.2 p -50.2 155.82 0.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.447 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -52.41 -34.81 49.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.29 98.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -61.77 2.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.788 ' CD2' HD23 ' A' ' 32' ' ' LEU . 8.0 mt -45.59 -57.9 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -42.74 -41.75 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.251 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -39.67 82.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.2 mtt -67.89 -55.82 11.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.876 HG23 HG12 ' A' ' 63' ' ' ILE . 5.1 mt -44.66 -46.63 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -51.41 -50.29 59.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -51.42 -33.65 31.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.85 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -110.06 34.51 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -159.17 108.87 1.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.99 -10.01 20.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.483 ' OD2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -77.7 -42.82 33.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.13 31.24 23.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.483 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 29.6 p-10 -79.02 -17.73 54.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.2 -28.98 12.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.5 m -103.12 169.22 8.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 0.778 . . . . 0.0 110.399 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.876 HG12 HG23 ' A' ' 52' ' ' ILE . 1.1 mm -113.9 139.15 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.618 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.1 m-20 -105.81 -170.8 1.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.705 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 19.7 t80 -78.18 -43.85 2.18 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.1 Cg_endo -75.02 -18.4 18.71 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.584 ' O ' HG22 ' A' ' 70' ' ' THR . 25.6 mt-10 -89.53 -25.04 21.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.545 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -90.32 -33.48 16.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.684 HD12 ' HA ' ' A' ' 66' ' ' PRO . 11.6 mt -39.76 -45.64 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.85 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.8 t -51.9 -47.9 64.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.406 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -47.31 -53.25 14.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.545 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.0 mmt -52.54 -49.02 65.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.3 -52.88 9.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.489 ' O ' ' OXT' ' A' ' 75' ' ' LYS . 24.3 mtm180 -116.15 74.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.489 ' OXT' ' O ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.289 -0.264 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -54.31 27.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.556 HD11 HD22 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -48.09 -48.97 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.441 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -37.7 -38.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.24 -52.54 32.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.485 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 34.2 m-85 -44.8 -26.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -43.84 -51.63 7.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -58.27 -41.51 84.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.244 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -52.63 -54.07 38.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.584 ' CE1' ' CD1' ' A' ' 27' ' ' ILE . 47.4 t80 -53.25 -35.58 60.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' LEU . 15.2 m -58.64 -50.45 73.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -35.55 -52.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.547 ' CB ' HD13 ' A' ' 27' ' ' ILE . 53.8 m-85 -76.27 -47.19 24.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.497 ' HB2' HG12 ' A' ' 27' ' ' ILE . 14.3 t0 -80.26 89.53 5.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -67.06 -54.35 22.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.62 -23.86 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.92 15.97 30.13 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.888 ' OD2' HG22 ' A' ' 26' ' ' THR . 11.5 p-10 -61.59 -31.45 71.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 0.733 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.46 4.93 7.38 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.888 HG22 ' OD2' ' A' ' 24' ' ' ASP . 1.4 t -137.12 154.61 50.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 110.406 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.584 ' CD1' ' CE1' ' A' ' 16' ' ' PHE . 85.3 mt -121.05 111.58 32.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.556 ' OG1' ' N ' ' A' ' 29' ' ' THR . 6.3 t -84.18 -150.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.556 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.1 p -86.95 -48.85 7.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.384 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -52.3 66.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -58.4 -23.47 57.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.358 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.792 HD23 ' CD2' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -85.88 -38.94 17.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.428 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -82.01 -1.36 90.28 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.535 1.147 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.528 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -82.94 -67.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 110.389 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.528 ' N ' HG22 ' A' ' 34' ' ' THR . 2.1 t -43.73 -26.97 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.432 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -67.1 -44.71 79.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.447 ' NH2' ' OD1' ' A' ' 42' ' ' ASN . 1.9 mtt-85 -53.75 -26.42 23.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.23 -1.56 37.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.51 15.97 11.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.77 19.22 76.56 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -106.12 176.06 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.447 ' OD1' ' NH2' ' A' ' 37' ' ' ARG . 30.3 t-20 176.46 72.0 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 132.56 15.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.1 p -48.08 169.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 110.37 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.45 -23.64 65.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.47 -44.51 67.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.27 -62.36 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.792 ' CD2' HD23 ' A' ' 32' ' ' LEU . 7.3 mt -42.34 -58.71 2.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -39.56 -46.58 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -44.51 95.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 48' ' ' LEU . 6.0 mtt -62.45 -41.94 99.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.841 HG23 HG12 ' A' ' 63' ' ' ILE . 5.4 mt -63.28 -32.95 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -83.95 -10.75 57.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 51' ' ' MET . 2.3 mt-10 -80.78 -14.61 57.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.881 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -122.04 -42.74 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.424 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 27.3 t70 -74.77 112.54 11.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.99 -8.03 26.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.448 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -80.22 -36.49 34.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.23 32.96 41.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.448 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 35.8 p-10 -76.37 -21.68 55.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.84 -38.4 3.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.1 p -101.38 179.21 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 0.81 . . . . 0.0 110.389 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.841 HG12 HG23 ' A' ' 52' ' ' ILE . 1.3 mm -119.74 144.09 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.621 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 50.4 m-20 -109.4 -170.94 1.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.704 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 35.3 t80 -77.6 -43.96 2.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.979 ' HA ' HD12 ' A' ' 69' ' ' LEU . 18.2 Cg_endo -75.06 -20.97 16.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.475 1.776 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.499 ' O ' HG22 ' A' ' 70' ' ' THR . 1.3 mm-40 -85.32 -26.83 26.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.442 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -87.27 -29.86 21.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 111.009 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.979 HD12 ' HA ' ' A' ' 66' ' ' PRO . 7.9 mt -45.89 -55.89 6.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.881 ' CG2' HG12 ' A' ' 55' ' ' VAL . 8.8 t -40.36 -49.83 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.456 ' HA ' ' CG ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -49.92 -39.09 39.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 111.049 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' LEU . 1.5 mmt -70.89 -33.66 70.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.43 -39.01 59.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.456 ' CG ' ' HA ' ' A' ' 71' ' ' MET . 0.8 OUTLIER -88.93 37.69 0.85 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -49.92 23.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.656 HD11 HD22 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -54.56 -46.39 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . -37.56 -37.92 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -70.77 -50.73 32.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.633 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 34.6 m-85 -46.91 -31.52 3.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 4.2 mttp -39.6 -59.06 1.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -50.94 -41.9 59.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -49.12 -55.71 11.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.577 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 64.8 t80 -51.56 -34.09 35.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.3 m -56.56 -51.68 67.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -38.43 -54.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.505 ' CB ' HD13 ' A' ' 27' ' ' ILE . 56.8 m-85 -72.11 -45.71 59.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.107 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.499 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 25.5 t0 -83.45 95.96 8.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' A' ' 23' ' ' GLY . 13.2 tttt -67.32 -60.81 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 1.5 p-10 -49.35 -22.78 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 57.92 16.19 23.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.551 1.157 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 48.3 p-10 -60.84 -27.55 68.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 0.746 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 121.87 9.05 7.07 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.1 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 3.0 p -137.98 152.7 49.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 0.794 . . . . 0.0 110.371 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.577 HG13 ' CZ ' ' A' ' 16' ' ' PHE . 81.7 mt -122.43 104.6 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.6 t -77.73 -152.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.521 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.2 p -81.64 -56.64 3.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.413 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 33' ' ' GLY . 14.4 tttt -52.89 -60.14 3.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -49.67 -23.12 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.852 HD23 ' CD2' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -88.34 -33.35 18.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' LYS . . . -87.58 -3.51 80.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.525 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -81.4 -68.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.417 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.525 ' N ' HG22 ' A' ' 34' ' ' THR . 2.2 t -42.81 -27.59 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.436 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.1 OUTLIER -64.63 -45.84 85.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' THR . 2.8 mtm180 -67.76 -16.27 64.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -98.23 15.38 24.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.132 . . . . 0.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.88 -46.45 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.19 42.45 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.436 ' NE2' ' SD ' ' A' ' 36' ' ' MET . 11.8 mt-30 -139.52 179.95 6.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.783 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.418 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 55.8 t-20 176.26 64.43 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.01 127.18 10.47 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.5 1.789 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.4 p -48.22 157.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.377 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.413 ' HA ' HD12 ' A' ' 48' ' ' LEU . 2.9 mt-10 -54.7 -27.41 40.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.96 -44.06 70.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.48 -61.04 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.852 ' CD2' HD23 ' A' ' 32' ' ' LEU . 7.3 mt -42.41 -58.07 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -43.3 -45.8 6.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.306 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -36.2 83.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.7 mtt -74.55 -45.71 43.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.467 HG23 HG12 ' A' ' 63' ' ' ILE . 1.4 mt -54.5 -32.0 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -74.31 -18.51 60.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' MET . 6.5 mt-10 -85.8 -16.03 40.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.951 HG12 HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -124.53 36.28 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.42 ' HB2' HD13 ' A' ' 63' ' ' ILE . 58.9 t0 -170.06 123.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.52 11.9 38.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.479 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -111.56 -33.14 6.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 50.59 42.83 45.02 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.479 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 21.9 p-10 -71.96 -20.63 61.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 0.753 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.24 16.56 6.08 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.441 1.088 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.441 ' CG2' ' HB ' ' A' ' 26' ' ' THR . 0.4 OUTLIER -160.48 164.67 32.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 110.379 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.651 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.3 mm -112.32 139.96 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.651 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.6 m-20 -115.8 -174.17 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.722 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 17.0 t80 -68.25 -44.53 37.23 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.722 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.05 -7.18 18.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.782 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.598 ' O ' HG22 ' A' ' 70' ' ' THR . 1.2 mm-40 -103.42 -33.88 8.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.536 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -85.73 -34.14 21.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.656 HD22 HD11 ' A' ' 9' ' ' ILE . 8.9 mt -37.13 -47.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.951 HG23 HG12 ' A' ' 55' ' ' VAL . 9.9 t -50.36 -52.27 38.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.525 ' HG3' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -40.83 -47.77 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.536 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -67.33 -40.79 85.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.95 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.52 -45.39 87.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -117.96 66.0 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -80.27 -42.64 22.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.682 HD11 HD22 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -61.92 -36.08 71.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.69 -39.32 5.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.51 -37.95 83.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.7 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 4.8 m-85 -68.78 -33.31 73.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 32.3 mttt -39.99 -63.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -45.24 -37.54 4.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -58.26 -53.59 56.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.453 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 66.2 t80 -61.17 -34.66 75.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.2 m -58.74 -50.51 73.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.476 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -38.19 -51.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.681 ' CB ' HD13 ' A' ' 27' ' ' ILE . 69.8 m-85 -75.52 -48.2 23.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.49 ' HB2' HG12 ' A' ' 27' ' ' ILE . 7.9 t0 -81.41 95.11 6.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.15 -51.58 13.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -50.61 -22.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.67 14.48 29.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -63.08 -29.7 71.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.43 13.37 6.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.57 1.169 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 66.8 p -142.68 153.47 43.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 110.402 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.681 HD13 ' CB ' ' A' ' 19' ' ' PHE . 73.6 mt -123.05 106.34 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.678 ' O ' HD11 ' A' ' 52' ' ' ILE . 5.4 t -79.06 -142.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.544 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.0 p -93.46 -50.08 5.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -52.99 62.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -59.11 -21.52 59.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.684 HD23 ' CD2' ' A' ' 48' ' ' LEU . 2.6 tp -85.11 -32.12 22.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.62 -5.66 74.48 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 37' ' ' ARG . 1.4 m -77.83 -64.99 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 110.4 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 2.2 t -45.88 -26.78 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -42.91 73.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.432 ' CZ ' ' OD1' ' A' ' 42' ' ' ASN . 2.0 mtt-85 -54.56 -26.6 33.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -73.88 -20.01 60.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.41 22.6 14.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 63.09 26.86 69.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.453 1.095 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -110.57 177.97 4.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.744 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.432 ' OD1' ' CZ ' ' A' ' 37' ' ' ARG . 14.4 t-20 175.86 73.63 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 144.66 30.45 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.0 p -62.6 156.83 22.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -54.4 -30.06 50.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.53 82.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.43 -59.85 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.684 ' CD2' HD23 ' A' ' 32' ' ' LEU . 7.6 mt -48.01 -59.02 3.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -41.35 -41.54 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -41.59 83.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.4 mtt -66.89 -55.22 15.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.738 HG23 HG12 ' A' ' 63' ' ' ILE . 6.3 mt -45.15 -50.37 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -47.72 -43.01 26.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 51' ' ' MET . 19.3 mt-10 -52.53 -38.31 59.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.821 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -112.94 35.78 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -155.12 92.59 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.96 -12.19 42.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.465 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -76.41 -40.22 51.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.0 32.6 25.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.465 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 33.1 p-10 -80.76 -17.99 49.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.87 -30.31 10.01 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.409 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 1.1 m -101.43 168.26 9.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 110.428 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.738 HG12 HG23 ' A' ' 52' ' ' ILE . 1.2 mm -114.82 139.52 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.608 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 36.5 m-20 -111.42 -172.14 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.678 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 7.6 t80 -75.16 -44.76 4.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.678 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -75.03 -10.81 21.33 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.582 ' O ' HG22 ' A' ' 70' ' ' THR . 1.4 mm-40 -97.07 -28.32 14.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.329 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -93.11 -36.83 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.682 HD22 HD11 ' A' ' 9' ' ' ILE . 12.4 mt -38.66 -40.03 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.821 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.5 t -57.68 -51.61 68.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.453 ' N ' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -39.13 -51.09 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.6 mmt -62.34 -49.23 76.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.413 ' HB3' ' HD3' ' A' ' 74' ' ' ARG . . . -54.68 -43.84 72.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.413 ' HD3' ' HB3' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -123.8 73.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.98 ' HG2' ' OXT' ' A' ' 75' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -47.91 71.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.488 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -53.1 -51.79 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.488 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -38.94 -37.92 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.44 -49.53 54.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.659 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 22.0 m-85 -51.28 -29.94 16.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' PHE . 38.7 mttt -39.65 -63.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -47.75 -42.69 26.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -49.95 -57.03 8.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.691 ' CE1' HD12 ' A' ' 27' ' ' ILE . 71.9 t80 -53.63 -35.98 61.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.5 t -57.64 -51.07 71.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -38.39 -51.42 1.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.433 ' CB ' HD13 ' A' ' 27' ' ' ILE . 60.6 m-85 -74.77 -43.9 52.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 30.6 t0 -83.44 95.49 8.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.409 ' C ' ' N ' ' A' ' 23' ' ' GLY . 1.8 tmtt? -65.67 -62.34 1.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -48.88 -23.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 57.93 17.06 27.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 35.7 p-10 -60.55 -29.09 68.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 124.02 4.7 7.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 31.0 p -136.37 146.93 47.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.691 HD12 ' CE1' ' A' ' 16' ' ' PHE . 83.2 mt -114.85 121.54 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.555 ' O ' HD11 ' A' ' 52' ' ' ILE . 8.6 t -96.26 -154.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.415 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.517 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.5 p -79.99 -56.55 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.434 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -54.37 -60.33 3.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.401 ' HG3' HG22 ' A' ' 28' ' ' THR . 53.1 mt-10 -43.29 -34.98 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.608 ' HB3' HD22 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -75.5 -53.6 8.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.41 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -60.97 -13.28 33.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.551 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -70.14 -70.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.399 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.551 ' N ' HG22 ' A' ' 34' ' ' THR . 2.4 t -48.06 -24.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.408 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -70.95 -43.59 67.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.41 ' NE ' ' O ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -68.33 -22.38 64.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.319 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -103.25 42.87 1.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.04 -44.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.14 42.74 0.09 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.117 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -143.42 177.49 8.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.793 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.42 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 7.5 t-20 176.46 64.37 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.03 120.36 6.03 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.477 1.777 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.5 p -41.21 157.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.363 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.59 -29.26 58.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.86 -47.21 66.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.73 -57.77 10.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.608 HD22 ' HB3' ' A' ' 32' ' ' LEU . 5.9 mt -46.46 -57.64 4.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -38.57 -45.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.236 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -44.86 78.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' LEU . 6.2 mtt -61.19 -39.77 91.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.863 HG23 ' CG1' ' A' ' 63' ' ' ILE . 4.0 mt -73.45 -29.21 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -86.13 10.62 13.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 51' ' ' MET . 1.5 mt-10 -98.44 -20.82 16.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.669 HG23 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -117.31 -39.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.406 ' OD1' ' OD2' ' A' ' 58' ' ' ASP . 11.1 t0 -69.78 84.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.68 -11.39 59.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.482 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -80.56 -29.31 37.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.56 33.3 61.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.482 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 47.3 p-10 -74.6 -23.32 58.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 109.23 -34.31 5.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.409 HG22 ' ND2' ' A' ' 60' ' ' ASN . 5.3 t -106.33 -173.78 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.41 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.863 ' CG1' HG23 ' A' ' 52' ' ' ILE . 1.1 mm -127.46 140.61 48.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.616 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 8.3 m-20 -108.64 -167.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.739 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 15.9 t80 -76.92 -44.44 2.92 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -75.04 -14.5 21.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.515 ' O ' HG22 ' A' ' 70' ' ' THR . 2.1 mm-40 -91.67 -29.45 16.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -89.85 -29.5 18.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 66' ' ' PRO . 10.3 mt -47.44 -36.41 9.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -68.9 -37.81 79.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -48.07 69.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.571 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.0 mmt -63.89 -47.46 80.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.4 -46.01 87.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -109.03 58.7 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -47.97 76.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.51 HD11 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -51.9 -46.94 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.418 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -41.67 -38.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -70.32 -45.12 66.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.631 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 30.3 m-85 -57.4 -32.87 67.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 10.6 mtmm -40.26 -57.15 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -52.28 -39.34 60.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -52.43 -52.97 51.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 67.5 t80 -51.48 -37.27 48.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 18' ' ' LEU . 16.1 m -55.81 -52.73 62.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.037 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -34.98 -49.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.635 ' CB ' HD13 ' A' ' 27' ' ' ILE . 81.4 m-85 -78.76 -48.87 14.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' HG12 ' A' ' 27' ' ' ILE . 36.6 t0 -80.2 83.05 6.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -39.04 87.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -67.51 -22.29 65.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.478 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 56.86 16.33 17.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -60.87 -37.1 80.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.44 -6.2 4.93 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 30.5 p -130.4 147.2 52.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 0.76 . . . . 0.0 110.415 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.635 HD13 ' CB ' ' A' ' 19' ' ' PHE . 91.3 mt -113.79 104.74 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.526 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.2 t -73.01 -153.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.381 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.526 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.8 p -84.16 -52.81 5.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 110.385 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' GLY . 26.4 tttt -54.28 -57.62 10.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -52.18 -21.44 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.612 ' HB3' HD22 ' A' ' 48' ' ' LEU . 1.5 tp -87.41 -28.93 21.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' LYS . . . -89.7 -2.61 75.47 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.528 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -82.57 -66.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.748 . . . . 0.0 110.375 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.528 ' N ' HG22 ' A' ' 34' ' ' THR . 2.2 t -44.15 -27.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.406 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -66.38 -44.38 83.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 111.011 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.6 OUTLIER -52.71 -24.23 8.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 m -73.34 -21.55 60.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.45 26.46 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.14 23.6 62.1 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.445 1.091 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -105.19 -177.11 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 0.808 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.5 t30 170.61 71.06 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 144.11 29.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.2 p -62.08 167.7 3.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -63.03 -22.47 66.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.93 -48.97 41.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -55.97 -56.59 18.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 32' ' ' LEU . 6.9 mt -48.63 -56.92 7.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -41.2 -38.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -42.59 58.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.499 ' O ' HG22 ' A' ' 55' ' ' VAL . 5.5 mtt -63.69 -42.63 97.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.707 HG23 HG12 ' A' ' 63' ' ' ILE . 4.0 mt -59.66 -61.3 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -40.95 -52.59 3.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -43.68 -46.89 7.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.721 HG12 HG23 ' A' ' 70' ' ' THR . 0.7 OUTLIER -104.63 34.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.51 91.46 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.38 -1.92 58.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -87.41 -27.22 22.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 47.8 40.02 18.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 30.4 p-10 -101.58 -7.08 23.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.607 ' C ' HG23 ' A' ' 62' ' ' THR . . . 106.22 142.15 10.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.607 HG23 ' C ' ' A' ' 61' ' ' GLY . 1.1 p 61.85 175.04 0.12 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 0.773 . . . . 0.0 110.438 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.707 HG12 HG23 ' A' ' 52' ' ' ILE . 1.2 mm -121.46 137.6 54.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.647 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.1 m-20 -99.86 -172.48 2.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.725 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 28.7 t80 -70.75 -44.46 16.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.96 -14.45 21.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.432 1.754 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.517 ' O ' ' CG2' ' A' ' 70' ' ' THR . 18.3 mt-10 -95.56 -22.89 17.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.526 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.3 OUTLIER -94.18 -32.22 13.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.946 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 66' ' ' PRO . 9.5 mt -45.32 -35.77 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.721 HG23 HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -62.02 -38.91 90.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 110.415 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -55.97 -58.12 9.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.526 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.1 mmt -50.15 -40.94 48.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 70' ' ' THR . . . -49.33 -54.42 17.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.9 mtm180 -110.28 71.18 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.4 mm-40 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -48.1 -41.51 26.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 110.315 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.538 HG13 HD21 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -54.65 -50.46 59.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.47 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -40.19 -36.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -70.63 -47.89 57.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.583 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 19.5 m-85 -53.84 -33.07 55.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.565 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 15.3 mtmt -40.41 -56.59 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -52.78 -40.78 63.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -52.98 -55.64 22.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.725 ' CE1' HD12 ' A' ' 27' ' ' ILE . 59.8 t80 -46.56 -34.1 4.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.3 t -55.46 -53.83 51.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -38.3 -54.4 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -71.26 -48.33 51.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.513 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 25.2 t0 -82.4 96.07 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.424 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -67.29 -60.54 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -49.7 -21.43 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 54.73 18.61 11.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.456 1.097 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.9 p30 -63.44 -23.96 67.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.17 9.44 8.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 2.5 p -137.87 162.97 32.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.455 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.725 HD12 ' CE1' ' A' ' 16' ' ' PHE . 81.0 mt -131.23 116.52 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.573 ' OG1' ' N ' ' A' ' 29' ' ' THR . 5.3 t -92.98 -152.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.402 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.573 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.9 p -90.02 -39.13 13.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.413 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -24.89 63.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.368 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.484 ' OE1' HG22 ' A' ' 28' ' ' THR . 44.9 mt-10 -91.31 -12.81 33.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.878 HD23 ' CD2' ' A' ' 48' ' ' LEU . 1.6 tp -94.08 -37.43 11.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -83.62 -5.76 87.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.476 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -76.83 -65.25 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.408 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.476 ' N ' HG22 ' A' ' 34' ' ' THR . 2.2 t -45.57 -26.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.405 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -71.33 -41.82 69.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.446 ' NE ' ' O ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -68.27 -42.05 80.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.8 m -52.13 -25.16 8.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.959 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.0 -85.82 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.05 31.64 0.12 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -124.82 179.17 5.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 110.281 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 177.98 71.73 0.11 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 134.35 17.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.6 p -53.32 157.97 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.18 -24.84 57.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.29 -44.13 72.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.88 -62.27 2.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.878 ' CD2' HD23 ' A' ' 32' ' ' LEU . 6.7 mt -42.95 -58.46 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -41.39 -43.86 2.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -40.31 82.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.497 ' O ' HG22 ' A' ' 55' ' ' VAL . 4.8 mtt -68.33 -48.85 63.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.413 HG23 HG12 ' A' ' 63' ' ' ILE . 1.1 mt -52.42 -51.17 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -48.55 -51.81 25.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -48.57 -38.2 19.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.045 HG12 HG23 ' A' ' 70' ' ' THR . 1.2 m -107.83 38.02 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -163.53 111.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.57 -10.1 18.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -84.5 -20.04 32.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.436 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 40.11 43.33 2.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -83.99 -19.08 35.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 0.767 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.12 42.16 2.12 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 179.27 153.34 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 0.73 . . . . 0.0 110.388 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' ILE . 2.7 mm -106.51 137.04 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.66 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.1 m-20 -115.0 -171.43 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.688 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 9.3 t80 -69.81 -43.82 21.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.688 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.02 -10.04 21.0 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.5 1.79 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.675 ' O ' HG22 ' A' ' 70' ' ' THR . 1.4 mm-40 -100.28 -25.69 14.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.576 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -93.4 -29.14 15.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.538 HD21 HG13 ' A' ' 9' ' ' ILE . 13.0 mt -48.78 -25.49 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 1.045 HG23 HG12 ' A' ' 55' ' ' VAL . 1.3 t -75.5 -35.67 60.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.382 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -53.89 -57.69 10.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -64.89 -28.92 69.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.76 -42.26 82.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -88.12 38.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -79.23 -45.72 19.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.593 HD11 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -58.77 -39.44 76.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -41.83 -39.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -68.11 -41.92 81.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.701 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 8.1 m-85 -63.74 -31.9 73.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 9.8 mttp -40.48 -61.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -46.18 -37.53 7.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -56.81 -54.1 50.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.576 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 53.5 t80 -59.39 -32.68 70.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -60.68 -50.53 73.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.042 179.95 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -39.28 -59.75 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.61 ' CB ' HD13 ' A' ' 27' ' ' ILE . 34.2 m-85 -65.01 -46.69 80.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -74.74 82.08 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.6 17.76 5.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.443 ' OD1' ' CG ' ' A' ' 24' ' ' ASP . 1.6 p30 -113.62 -19.36 11.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.08 81.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 33.1 p-10 -146.4 -42.42 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 135.38 -4.66 4.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 30.7 p -128.25 159.14 36.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 0.765 . . . . 0.0 110.41 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.61 HD13 ' CB ' ' A' ' 19' ' ' PHE . 85.3 mt -124.53 96.52 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.666 HG22 ' HG3' ' A' ' 31' ' ' GLU . 7.3 t -68.01 -152.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.54 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.0 p -90.34 -52.97 4.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -54.77 -26.54 35.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.666 ' HG3' HG22 ' A' ' 28' ' ' THR . 1.3 mm-40 -87.41 -18.64 29.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.736 HD22 HG13 ' A' ' 52' ' ' ILE . 5.1 tp -87.92 -29.65 20.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.75 -3.33 64.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -79.68 -60.88 2.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 0.0 110.387 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 1.9 t -46.73 -32.3 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -65.74 -37.88 87.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 42' ' ' ASN . 6.3 mmt180 -41.43 -36.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -49.56 75.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.997 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' MET . 1.0 OUTLIER -69.71 -20.53 63.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.35 16.06 63.12 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.469 ' O ' ' C ' ' A' ' 42' ' ' ASN . 5.1 mt-30 -72.53 -37.66 68.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.747 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.469 ' C ' ' O ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER 34.64 71.81 0.76 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.535 ' HG2' HD21 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -74.98 158.3 42.35 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.476 1.777 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.9 p -82.34 155.17 24.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.04 -21.62 46.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.19 -45.63 39.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.35 -60.68 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.62 HD22 ' HB3' ' A' ' 32' ' ' LEU . 8.8 mt -42.71 -59.49 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -41.35 -47.66 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -39.79 95.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.0 mtt -69.67 -55.79 9.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.736 HG13 HD22 ' A' ' 32' ' ' LEU . 1.2 mt -45.48 -45.7 4.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -51.72 -34.9 40.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 51' ' ' MET . 15.2 mt-10 -63.04 -34.75 78.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.803 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -112.99 32.55 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 0.4 OUTLIER -156.59 100.93 1.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.55 -9.15 30.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -79.68 -35.8 38.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.74 32.85 44.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.586 ' ND2' HG22 ' A' ' 62' ' ' THR . 52.7 p-10 -76.59 -19.72 57.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 0.802 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.492 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 103.67 -29.57 11.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.586 HG22 ' ND2' ' A' ' 60' ' ' ASN . 10.9 t -107.57 -179.26 3.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 110.419 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.699 ' CD1' HG23 ' A' ' 55' ' ' VAL . 1.1 mm -122.83 141.42 43.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.611 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.5 m-20 -110.15 -170.99 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.689 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 9.5 t80 -75.04 -44.8 4.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.689 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.04 -11.46 21.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.467 1.772 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.611 ' O ' HG22 ' A' ' 70' ' ' THR . 1.0 OUTLIER -96.96 -28.16 14.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.505 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -91.94 -37.9 12.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.593 HD22 HD11 ' A' ' 9' ' ' ILE . 13.4 mt -38.3 -41.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.803 ' CG2' HG12 ' A' ' 55' ' ' VAL . 2.5 t -55.75 -51.92 65.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -40.69 -51.64 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.944 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.505 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -61.95 -43.7 98.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.4 -44.57 80.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -111.36 63.31 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.935 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 9.0 mtt . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.512 0.196 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -151.9 -175.4 5.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.35 -176.81 3.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 179.55 142.88 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.567 HD12 ' CG2' ' A' ' 5' ' ' THR . 0.3 OUTLIER -56.7 -170.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.567 ' CG2' HD12 ' A' ' 4' ' ' LEU . 1.4 p 59.07 -152.82 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.382 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.459 ' O ' HG22 ' A' ' 9' ' ' ILE . 27.1 mt-10 -35.27 -60.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.611 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.2 mm-40 -40.77 -46.43 2.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -49.28 -52.94 24.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.523 HD11 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -47.08 -45.98 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -40.07 -37.98 0.67 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -71.84 -48.51 45.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.331 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.527 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 25.0 m-85 -49.29 -29.38 5.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 111.024 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -44.01 -54.72 5.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -54.49 -44.11 72.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -49.47 -54.83 15.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.62 ' CE1' ' CD1' ' A' ' 27' ' ' ILE . 46.7 t80 -53.49 -31.95 48.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -62.42 -51.96 65.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -36.66 -56.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.53 ' CB ' HD13 ' A' ' 27' ' ' ILE . 56.1 m-85 -70.52 -41.17 72.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -79.21 95.97 5.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.46 19.59 7.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -114.11 -20.18 11.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.51 16.24 21.03 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 37.7 p30 -81.97 -31.19 31.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 0.741 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 117.22 16.98 5.91 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.471 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 6.6 p -140.57 152.34 45.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 0.736 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.62 ' CD1' ' CE1' ' A' ' 16' ' ' PHE . 67.5 mt -122.16 102.77 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.63 ' O ' HD11 ' A' ' 52' ' ' ILE . 10.2 t -79.55 -154.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.488 ' N ' ' OG1' ' A' ' 28' ' ' THR . 6.1 p -80.58 -62.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.371 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -46.95 -56.6 6.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -50.1 -29.03 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.75 ' HB3' HD22 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -82.02 -39.38 23.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.29 8.54 52.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.574 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -96.06 -68.9 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.381 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.574 ' N ' HG22 ' A' ' 34' ' ' THR . 2.2 t -45.5 -31.53 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -50.51 -30.59 13.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.475 ' CZ ' HG23 ' A' ' 34' ' ' THR . 1.2 ptt180 -57.1 -30.13 64.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.1 m -67.34 -39.92 85.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.966 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.51 -12.91 59.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.75 22.26 34.17 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -108.16 176.63 5.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.4 t30 177.27 72.09 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 166.68 28.67 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.533 1.807 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.2 p -76.44 174.02 10.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -71.47 -10.79 60.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.59 -54.17 6.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.81 -57.42 12.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.75 HD22 ' HB3' ' A' ' 32' ' ' LEU . 6.0 mt -45.51 -58.27 3.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -39.8 -46.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -42.8 93.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.9 mtt -63.59 -40.1 96.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.954 HG23 HG12 ' A' ' 63' ' ' ILE . 4.9 mt -71.46 -27.22 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -88.77 7.09 35.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 51' ' ' MET . 1.7 mt-10 -95.83 -18.29 20.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.684 HG23 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -119.25 -40.43 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -71.43 98.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.15 -7.98 57.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -82.26 -31.27 30.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.97 32.93 58.16 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 49.8 p30 -74.22 -20.53 60.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 104.0 -25.91 24.83 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.446 ' N ' ' OD1' ' A' ' 60' ' ' ASN . 1.2 t -112.33 -179.21 3.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 110.42 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.954 HG12 HG23 ' A' ' 52' ' ' ILE . 1.1 mm -123.18 139.06 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.623 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 58.9 m-20 -103.4 -169.27 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.718 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 19.7 t80 -76.86 -44.11 2.96 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.914 ' HA ' HD12 ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.0 -25.68 11.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.792 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.529 ' O ' ' CG2' ' A' ' 70' ' ' THR . 1.1 mm-40 -80.08 -22.6 42.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -92.87 -29.98 15.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.914 HD12 ' HA ' ' A' ' 66' ' ' PRO . 6.1 mt -52.83 -36.83 59.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.529 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -61.72 -37.36 83.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.363 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -37.54 75.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.65 -46.59 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.91 -42.39 48.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -42.79 -91.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.468 ' O ' ' HB2' ' A' ' 1' ' ' ALA . 8.8 ptt? . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.46 0.171 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 0' ' ' MET . . . 177.49 135.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 11.7 t70 172.21 104.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -176.6 127.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.724 HD13 ' OE1' ' A' ' 8' ' ' GLN . 0.3 OUTLIER -82.79 179.13 7.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.498 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -154.04 -164.46 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.431 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 9' ' ' ILE . 41.8 mt-10 -46.06 -30.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -41.19 -41.81 1.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.724 ' OE1' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -62.33 -43.53 98.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.497 HG13 HD21 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -56.31 -48.28 79.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.43 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -42.83 -37.88 1.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.2 -39.43 71.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.604 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 4.2 m-85 -68.05 -33.32 74.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.575 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 6.9 mttt -38.76 -60.16 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -49.75 -42.31 46.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -52.65 -55.75 20.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.543 ' CE1' HD12 ' A' ' 27' ' ' ILE . 59.0 t80 -53.02 -35.34 59.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -58.21 -52.26 66.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -36.47 -56.89 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.57 ' CB ' HD13 ' A' ' 27' ' ' ILE . 50.4 m-85 -70.22 -44.42 68.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.498 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 21.4 t0 -83.15 87.82 6.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' A' ' 23' ' ' GLY . 10.9 tptt -62.26 -61.49 2.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -47.48 -24.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.461 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.63 17.49 34.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 11.2 p30 -61.81 -29.59 70.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 125.16 4.11 7.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 4.8 p -135.3 151.72 50.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 110.414 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.57 HD13 ' CB ' ' A' ' 19' ' ' PHE . 95.5 mt -118.42 99.38 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.529 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.2 t -72.23 -151.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.529 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.6 p -87.08 -55.25 3.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -53.49 -42.54 67.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.43 ' OE2' HG22 ' A' ' 28' ' ' THR . 46.8 mt-10 -68.23 -20.71 64.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.612 HD23 HD23 ' A' ' 48' ' ' LEU . 1.7 tp -88.26 -29.84 20.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.53 8.71 74.52 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.87 -61.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 0.0 110.421 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 2.1 t -47.77 -28.23 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.17 -45.05 86.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -62.89 -29.25 70.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 p -64.51 -18.99 65.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.957 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.81 -77.94 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.31 36.17 0.05 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.543 1.152 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -131.81 169.22 16.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 110.254 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 0.3 OUTLIER -167.12 73.39 1.04 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 146.41 32.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.6 p -71.18 163.43 27.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.18 -24.78 56.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.51 -45.39 72.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.32 -62.32 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.612 HD23 HD23 ' A' ' 32' ' ' LEU . 6.4 mt -41.88 -58.3 2.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -42.24 -42.52 3.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -38.89 82.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 48' ' ' LEU . 25.4 mtp -69.63 -47.25 64.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.793 HG23 HG12 ' A' ' 63' ' ' ILE . 5.7 mt -52.57 -52.67 24.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -46.04 -54.47 8.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -45.43 -38.12 5.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.97 HG12 HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -110.19 34.49 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -159.25 92.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.8 -7.14 55.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.246 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -82.15 -33.52 29.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.87 34.34 56.2 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.634 ' ND2' HG22 ' A' ' 62' ' ' THR . 50.7 p-10 -75.84 -21.76 56.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.447 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 105.92 -25.22 24.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.634 HG22 ' ND2' ' A' ' 60' ' ' ASN . 7.2 t -113.32 -177.68 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.793 HG12 HG23 ' A' ' 52' ' ' ILE . 1.2 mm -122.42 142.84 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.6 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 33.5 m-20 -112.32 -169.7 1.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.746 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 11.7 t80 -77.37 -44.78 2.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.746 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.99 -12.0 21.51 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.496 ' O ' ' CG2' ' A' ' 70' ' ' THR . 1.0 OUTLIER -96.47 -22.79 16.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -95.89 -30.25 13.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 66' ' ' PRO . 11.1 mt -47.64 -28.75 2.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.97 HG23 HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -70.54 -36.55 73.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 110.39 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -57.73 -49.94 74.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.559 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.1 mmt -59.8 -41.84 92.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.73 92.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.52 59.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.664 ' O ' ' HB2' ' A' ' 1' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.476 0.179 . . . . 0.0 111.024 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 0' ' ' MET . . . 164.69 103.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -162.34 29.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -166.42 119.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.473 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.3 OUTLIER -53.94 178.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.473 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -151.99 -165.22 2.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 9' ' ' ILE . 43.3 mt-10 -42.71 -34.89 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 6' ' ' GLU . 1.2 mm-40 -37.09 -40.85 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -48.66 49.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.561 HG13 HD21 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -53.8 -45.45 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -41.71 -39.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.06 -44.45 84.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.657 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 54.8 m-85 -61.44 -34.44 75.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.521 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 56.4 mttm -39.5 -62.57 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -47.02 -38.71 11.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -58.12 -55.15 38.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.666 ' CE1' HD12 ' A' ' 27' ' ' ILE . 59.0 t80 -56.28 -35.43 67.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.6 t -59.7 -51.48 69.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.024 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -38.73 -50.87 1.68 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.473 ' CB ' HD13 ' A' ' 27' ' ' ILE . 23.3 m-85 -76.24 -42.76 44.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.17 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 23.7 t0 -84.59 87.2 7.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.417 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER -61.48 -61.39 2.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.24 -23.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.46 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.18 16.84 28.39 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 36.5 p-10 -60.61 -30.99 70.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.424 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 126.23 1.13 7.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 44.7 p -132.94 146.97 52.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.666 HD12 ' CE1' ' A' ' 16' ' ' PHE . 89.3 mt -114.25 109.07 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.4 t -82.8 -152.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.403 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.521 ' N ' ' OG1' ' A' ' 28' ' ' THR . 34.1 p -90.06 -44.65 9.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.433 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -66.47 -21.34 66.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.477 ' CG ' HG22 ' A' ' 28' ' ' THR . 49.1 mt-10 -93.09 -12.2 31.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.702 HD23 ' CD2' ' A' ' 48' ' ' LEU . 2.0 tp -93.19 -36.92 12.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.28 -10.72 81.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -69.81 -63.09 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 0.0 110.45 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.428 ' N ' HG22 ' A' ' 34' ' ' THR . 2.2 t -49.87 -27.66 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -43.56 75.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -65.58 -19.8 66.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 t -106.45 32.43 4.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 tt -146.44 -46.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.94 44.07 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.559 1.162 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -148.05 179.41 7.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.415 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 31.2 t-20 177.61 64.66 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.251 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.529 ' HG2' HD21 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.02 137.54 21.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.9 p -59.97 157.71 12.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -52.08 -31.17 29.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.31 -45.01 77.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.7 -60.75 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.702 ' CD2' HD23 ' A' ' 32' ' ' LEU . 9.6 mt -45.98 -58.86 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -42.11 -44.06 3.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -38.71 92.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.507 ' N ' ' O ' ' A' ' 48' ' ' LEU . 45.8 mtp -70.15 -54.64 12.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.794 HG23 HG12 ' A' ' 63' ' ' ILE . 6.9 mt -45.2 -46.32 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -52.69 -38.31 60.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 51' ' ' MET . 13.0 mt-10 -60.85 -34.81 75.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.794 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -111.2 32.97 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.416 ' OD2' ' HA2' ' A' ' 59' ' ' GLY . 4.0 t70 -157.76 103.27 1.89 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -97.07 -8.87 29.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -78.69 -35.69 44.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.416 ' HA2' ' OD2' ' A' ' 56' ' ' ASP . . . 77.92 33.54 41.15 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 51.4 p-10 -77.44 -20.82 53.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 104.5 -28.99 12.71 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.4 p -108.37 -176.6 3.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 110.421 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.794 HG12 HG23 ' A' ' 52' ' ' ILE . 1.1 mm -124.75 142.55 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.604 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 0.9 OUTLIER -108.53 -167.38 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.716 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 15.1 t80 -79.54 -44.33 1.61 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.716 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.99 -14.41 21.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.624 ' O ' HG22 ' A' ' 70' ' ' THR . 16.7 mt-10 -94.3 -25.13 17.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 71' ' ' MET . 0.4 OUTLIER -92.72 -36.97 12.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.561 HD21 HG13 ' A' ' 9' ' ' ILE . 9.2 mt -39.74 -38.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.794 ' CG2' HG12 ' A' ' 55' ' ' VAL . 2.6 t -59.37 -49.82 76.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.448 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -42.97 -51.86 5.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.32 -49.32 77.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.96 -44.81 64.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -48.36 -36.05 13.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.991 ' OXT' ' CG ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 8.0 mtt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.456 0.17 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -118.68 -99.96 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.3 t70 169.27 108.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.47 126.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.498 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.4 OUTLIER -88.01 175.79 7.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.498 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -154.76 -164.06 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.455 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 9' ' ' ILE . 42.0 mt-10 -46.49 -31.14 2.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -39.65 -39.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -44.83 71.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.257 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.566 HG13 HD21 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -55.52 -43.4 72.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -42.26 -36.71 1.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -69.52 -41.75 75.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.645 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 48.3 m-85 -63.8 -34.74 78.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 2.4 mtmp? -40.19 -60.94 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -48.53 -40.72 27.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.244 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -53.31 -55.69 22.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.582 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 60.9 t80 -53.75 -32.2 51.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -59.53 -51.7 68.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.952 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -37.76 -54.55 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.688 ' CB ' HD13 ' A' ' 27' ' ' ILE . 63.0 m-85 -73.82 -45.18 52.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.48 ' HB2' HG12 ' A' ' 27' ' ' ILE . 15.6 t0 -83.99 83.87 7.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.44 -23.46 61.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.422 ' OD1' ' CD ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -74.23 -26.55 60.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 63.98 10.33 39.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -62.71 -34.66 77.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.784 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.32 1.63 8.51 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.572 1.17 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 43.1 p -135.5 142.53 45.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.688 HD13 ' CB ' ' A' ' 19' ' ' PHE . 92.4 mt -109.01 109.57 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.916 HG22 ' CD ' ' A' ' 31' ' ' GLU . 5.6 t -80.18 -151.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.441 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.57 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.4 p -90.03 -47.95 7.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.418 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -62.85 -27.14 69.13 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.916 ' CD ' HG22 ' A' ' 28' ' ' THR . 38.9 mt-10 -85.18 -17.7 36.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.724 HD23 ' CD2' ' A' ' 48' ' ' LEU . 1.4 tp -89.32 -35.82 15.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.48 -10.49 81.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.34 -60.03 2.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 0.754 . . . . 0.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 t -54.27 -28.05 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -40.8 64.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.475 1.109 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -19.67 42.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 m -113.41 40.76 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -154.73 24.39 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.81 6.17 71.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.122 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -108.96 174.7 5.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 0.758 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.403 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 57.2 t-20 176.36 65.23 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.01 139.62 24.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.782 . . . . 0.0 111.028 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.2 p -64.41 164.39 11.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.433 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -58.38 -22.38 53.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.27 -46.13 51.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.4 -60.9 3.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.724 ' CD2' HD23 ' A' ' 32' ' ' LEU . 8.3 mt -43.4 -58.58 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -42.71 -43.85 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -36.98 84.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 48' ' ' LEU . 21.6 mtp -73.66 -49.22 27.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 111.034 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.441 ' HA ' HD11 ' A' ' 63' ' ' ILE . 1.4 mt -51.36 -38.12 19.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 -62.3 -22.54 66.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 51' ' ' MET . 19.7 mt-10 -77.57 -26.07 50.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.84 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -119.35 31.72 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -158.4 110.48 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.16 -9.13 21.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.456 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -78.17 -38.47 43.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.81 33.22 34.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.123 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.456 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 35.8 p-10 -78.39 -21.33 49.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.2 -35.75 4.83 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.442 1.089 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.43 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 10.5 p -101.02 178.38 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 0.736 . . . . 0.0 110.429 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.62 ' CD1' HG23 ' A' ' 55' ' ' VAL . 1.4 mm -121.65 139.63 48.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.62 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.2 m-20 -106.7 -171.13 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.702 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 9.9 t80 -75.11 -44.45 4.68 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.99 -11.02 21.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.627 ' O ' HG22 ' A' ' 70' ' ' THR . 13.5 mt-10 -99.0 -28.51 13.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.345 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.539 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -89.51 -36.5 15.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.566 HD21 HG13 ' A' ' 9' ' ' ILE . 9.3 mt -38.16 -45.89 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.84 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.9 t -50.65 -52.65 37.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.4 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.464 ' N ' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -41.88 -52.92 3.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.539 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.4 mmt -55.55 -52.41 63.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.06 -48.47 61.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.509 ' O ' ' NE ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -121.72 75.83 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.646 ' O ' ' HB2' ' A' ' 1' ' ' ALA . 20.8 mtt . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.526 0.203 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 0' ' ' MET . . . 165.05 79.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.6 t0 179.37 46.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -161.61 118.52 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.473 HD13 ' OE1' ' A' ' 8' ' ' GLN . 0.3 OUTLIER -70.56 176.45 4.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.457 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -151.46 -166.13 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.371 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.487 ' O ' HG22 ' A' ' 9' ' ' ILE . 42.8 mt-10 -45.29 -31.76 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -39.9 -41.58 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.473 ' OE1' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -65.65 -42.86 90.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.566 HD11 HD13 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -56.82 -42.66 78.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -44.23 -38.61 3.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.1 -37.02 83.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.574 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 9.7 m-85 -73.25 -32.88 64.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.578 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 5.8 mtmm -39.79 -58.69 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -50.5 -40.45 51.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -57.17 -53.84 53.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.605 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 56.0 t80 -58.64 -32.07 68.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 18' ' ' LEU . 22.8 m -62.62 -49.59 74.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -38.18 -51.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.653 ' CB ' HD13 ' A' ' 27' ' ' ILE . 49.9 m-85 -76.03 -47.14 25.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -74.29 102.01 4.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.94 35.08 3.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -114.03 -85.31 0.6 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.89 40.88 0.1 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.784 ' OD2' HG22 ' A' ' 26' ' ' THR . 2.1 p30 -124.16 -30.08 3.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.97 24.24 6.11 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.784 HG22 ' OD2' ' A' ' 24' ' ' ASP . 4.6 t -135.86 161.87 34.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 0.754 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.653 HD13 ' CB ' ' A' ' 19' ' ' PHE . 60.9 mt -129.05 102.83 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.679 ' O ' HD11 ' A' ' 52' ' ' ILE . 5.3 t -78.1 -150.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.572 ' N ' ' OG1' ' A' ' 28' ' ' THR . 5.5 p -85.47 -53.37 5.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.42 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -54.45 -58.97 5.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -49.55 -26.06 3.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.81 HD23 ' CD2' ' A' ' 48' ' ' LEU . 0.8 OUTLIER -82.81 -36.0 25.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 30' ' ' LYS . . . -85.52 7.87 74.44 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.596 1.185 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.43 -48.21 7.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 0.735 . . . . 0.0 110.402 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.59 -23.71 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -42.76 65.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -79.65 -2.67 43.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 t -99.42 13.6 32.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.07 -47.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.55 43.38 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -139.45 176.97 8.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.793 . . . . 0.0 110.27 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 176.41 68.43 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.069 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.4 28.92 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.0 p -60.98 154.81 21.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -52.92 -25.35 11.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.19 -45.35 70.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.41 -61.2 2.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.81 ' CD2' HD23 ' A' ' 32' ' ' LEU . 8.6 mt -45.96 -58.33 3.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -42.33 -44.46 3.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -38.97 93.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 48' ' ' LEU . 10.5 mtt -70.01 -52.25 25.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.878 HG23 HG12 ' A' ' 63' ' ' ILE . 7.0 mt -54.25 -28.38 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -75.44 -3.87 36.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 51' ' ' MET . 17.4 mt-10 -94.49 -29.37 14.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.825 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -115.7 34.73 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -155.07 89.45 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.37 -9.02 59.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.291 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.486 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -79.72 -35.83 38.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.17 35.35 53.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.461 1.101 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.486 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 35.0 p-10 -78.56 -21.96 47.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 0.741 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.59 -27.67 14.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.556 1.16 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.82 171.26 7.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.878 HG12 HG23 ' A' ' 52' ' ' ILE . 1.5 mm -116.0 142.81 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.582 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 48.8 m-20 -111.75 -168.11 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.7 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 7.5 t80 -79.29 -44.99 1.69 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.7 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.95 -13.68 21.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.607 ' O ' HG22 ' A' ' 70' ' ' THR . 1.2 mm-40 -94.28 -27.15 16.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -92.09 -38.35 12.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 111.022 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.566 HD13 HD11 ' A' ' 9' ' ' ILE . 9.8 mt -38.47 -41.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.825 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.7 t -54.0 -52.5 60.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.469 ' N ' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -39.9 -49.22 2.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.98 -48.88 76.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.14 -44.27 83.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.88 63.03 0.65 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.1 mtp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.533 0.206 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -176.61 49.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -159.74 -163.75 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -163.35 126.04 2.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.235 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.997 HD12 HG23 ' A' ' 5' ' ' THR . 0.6 OUTLIER -85.3 -166.24 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.997 HG23 HD12 ' A' ' 4' ' ' LEU . 17.6 p 50.97 161.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.432 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 9' ' ' ILE . 34.2 mt-10 68.63 -54.73 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -79.64 -44.36 21.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.76 -36.83 62.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -59.43 -48.7 86.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -38.71 -37.34 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -69.04 -51.48 38.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.61 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 29.8 m-85 -47.01 -31.93 3.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 111.052 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' PHE . 71.3 mttt -40.36 -58.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -51.88 -42.25 62.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.307 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -49.83 -57.4 7.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.672 ' CE1' HD12 ' A' ' 27' ' ' ILE . 60.5 t80 -51.96 -36.69 50.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.8 t -57.91 -51.88 67.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -36.8 -51.73 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.252 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.447 ' CB ' HD13 ' A' ' 27' ' ' ILE . 58.6 m-85 -75.25 -45.58 39.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.48 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 32.4 t0 -80.62 88.63 5.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -59.91 -62.67 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -49.12 -23.07 1.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.122 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.459 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 56.68 18.76 25.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 7.5 p30 -61.23 -28.73 69.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 124.14 4.11 7.9 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 44.2 p -136.96 147.02 46.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.798 . . . . 0.0 110.385 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.672 HD12 ' CE1' ' A' ' 16' ' ' PHE . 87.2 mt -114.63 115.8 50.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.665 ' O ' HD11 ' A' ' 52' ' ' ILE . 7.3 t -88.37 -152.32 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.539 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.8 p -81.4 -55.41 4.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 32' ' ' LEU . 2.5 tttt -55.68 -60.82 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -45.92 -25.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.811 HD23 ' CD2' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -84.04 -48.44 9.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.408 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -70.35 -4.66 51.94 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.505 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -76.87 -66.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 110.407 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.505 ' N ' HG22 ' A' ' 34' ' ' THR . 2.4 t -49.95 -27.81 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -43.89 95.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.436 ' NH2' ' OD1' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -57.22 -17.89 13.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.2 -6.11 59.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.016 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.55 17.03 14.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.8 16.53 74.49 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -101.03 -179.21 3.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.436 ' OD1' ' NH2' ' A' ' 37' ' ' ARG . 15.5 t30 170.47 68.75 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 127.41 10.64 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.451 1.764 . . . . 0.0 110.963 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.8 p -44.64 161.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.427 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -58.94 -28.78 66.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.11 -44.5 79.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -59.99 -62.01 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.811 ' CD2' HD23 ' A' ' 32' ' ' LEU . 7.1 mt -43.74 -58.08 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -38.85 -44.1 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.15 -45.69 83.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.8 mtt -60.98 -42.66 98.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.968 HG23 HG12 ' A' ' 63' ' ' ILE . 5.6 mt -66.35 -29.05 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -90.69 7.51 39.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 51' ' ' MET . 1.2 mt-10 -98.08 -17.4 19.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.644 HG23 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -119.52 -40.19 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -72.9 106.77 4.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.02 -6.16 51.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.457 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -83.39 -33.59 25.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.48 33.7 55.66 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.457 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 48.7 p-10 -74.66 -22.74 58.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 109.14 -29.9 9.18 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 p -108.98 -177.43 3.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 0.737 . . . . 0.0 110.432 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.968 HG12 HG23 ' A' ' 52' ' ' ILE . 1.1 mm -123.82 141.13 45.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.625 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 15.8 m-20 -106.43 -169.16 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.708 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 16.9 t80 -78.33 -43.76 2.1 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.826 ' HA ' HD12 ' A' ' 69' ' ' LEU . 18.0 Cg_endo -75.07 -20.4 16.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.467 1.772 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.523 ' O ' HG22 ' A' ' 70' ' ' THR . 19.3 mt-10 -87.59 -22.54 24.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.578 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -92.77 -31.4 15.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.826 HD12 ' HA ' ' A' ' 66' ' ' PRO . 8.0 mt -47.8 -35.07 9.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -65.07 -36.66 85.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.16 . . . . 0.0 110.424 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -59.07 -41.97 89.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.578 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.1 mmt -67.76 -40.75 84.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.82 -44.9 88.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.62 59.5 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.5 ttt . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.475 0.178 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -161.56 -82.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -74.15 118.18 16.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 64.56 121.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.49 HD13 ' OE1' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -49.78 177.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.474 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -152.79 -162.62 1.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 9' ' ' ILE . 44.8 mt-10 -42.44 -35.95 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 6' ' ' GLU . 1.5 mt-10 -37.82 -42.11 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.49 ' OE1' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -70.37 -48.62 55.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.301 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -54.48 -46.95 71.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . -39.12 -38.03 0.44 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.158 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -67.83 -47.53 68.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.708 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 45.2 m-85 -56.33 -31.83 64.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' PHE . 31.4 mttt -39.26 -65.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.097 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -45.29 -38.71 5.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -56.61 -55.73 30.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.553 ' CE1' HD12 ' A' ' 27' ' ' ILE . 79.9 t80 -57.86 -36.74 72.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 18' ' ' LEU . 8.5 t -56.38 -52.13 65.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -37.43 -53.13 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CB ' HD13 ' A' ' 27' ' ' ILE . 51.9 m-85 -72.63 -46.86 51.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 17.4 t0 -80.81 92.37 6.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -67.28 -58.08 5.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -49.18 -23.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 59.51 15.58 32.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 36.8 p-10 -61.29 -32.01 71.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.41 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 127.29 -0.09 6.95 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 81.8 p -130.01 152.07 49.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 110.414 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.568 HD13 ' CB ' ' A' ' 19' ' ' PHE . 94.3 mt -119.45 102.88 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.535 ' OG1' ' N ' ' A' ' 29' ' ' THR . 7.4 t -76.61 -152.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.535 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.2 p -88.14 -45.35 10.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.387 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -40.89 97.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -71.76 -17.97 62.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.872 HD23 ' CD2' ' A' ' 48' ' ' LEU . 1.1 tp -91.39 -29.91 16.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.07 6.94 81.54 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -93.93 -64.17 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.78 . . . . 0.0 110.404 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.472 ' N ' HG22 ' A' ' 34' ' ' THR . 2.1 t -46.3 -25.85 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.4 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -69.71 -42.16 74.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' THR . 71.3 mtm180 -53.42 -21.66 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.247 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 m -109.79 30.14 6.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.62 20.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.09 20.77 75.12 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -120.71 173.63 7.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 0.737 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 175.55 66.53 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 147.07 33.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.486 1.782 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.5 p -70.5 161.14 31.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.425 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' HA ' HD12 ' A' ' 48' ' ' LEU . 1.2 mt-10 -54.54 -25.85 28.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.08 -48.84 56.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.24 -58.34 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.872 ' CD2' HD23 ' A' ' 32' ' ' LEU . 7.6 mt -45.23 -59.75 2.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -39.65 -49.17 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.48 -41.57 98.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' LEU . 9.1 mtp -66.86 -56.93 8.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.431 HG23 HG12 ' A' ' 63' ' ' ILE . 1.3 mt -44.55 -46.56 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -49.81 -37.87 32.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 51' ' ' MET . 15.3 mt-10 -59.54 -35.05 73.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.351 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.822 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -113.11 32.28 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.251 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.28 100.47 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.23 -12.04 26.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.483 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -76.64 -40.83 47.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.06 32.42 26.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.483 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 35.1 p-10 -80.37 -18.34 49.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.779 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.65 -29.13 12.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.41 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 1.4 m -103.08 168.07 9.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 110.404 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.631 HD11 HG23 ' A' ' 55' ' ' VAL . 1.5 mm -114.46 141.73 29.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.623 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 25.8 m-20 -114.04 -173.02 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.685 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 7.9 t80 -72.94 -44.79 8.51 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.98 -9.55 20.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.66 ' O ' HG22 ' A' ' 70' ' ' THR . 1.2 mm-40 -99.12 -29.22 12.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.541 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -91.76 -35.65 14.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.477 HD21 HG13 ' A' ' 9' ' ' ILE . 12.4 mt -40.46 -38.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.822 ' CG2' HG12 ' A' ' 55' ' ' VAL . 2.1 t -58.97 -47.22 85.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -45.34 -58.96 2.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.541 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.1 mmt -55.05 -38.63 68.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.26 -45.54 76.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.093 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.68 57.89 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.493 ' O ' ' HB2' ' A' ' 1' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.513 0.197 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 0' ' ' MET . . . 175.31 93.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 t0 177.58 117.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -123.95 86.43 2.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.733 ' C ' HG23 ' A' ' 5' ' ' THR . 0.6 OUTLIER -94.61 -165.54 1.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.733 HG23 ' C ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER 67.43 -148.95 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 110.388 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.488 ' N ' ' OG1' ' A' ' 5' ' ' THR . 15.6 mt-10 -34.17 -58.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.361 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 6' ' ' GLU . 3.8 mm-40 -37.3 -43.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -63.88 -54.17 39.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.483 HG13 HD21 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -48.11 -48.88 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.452 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -38.63 -37.31 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.428 ' CD ' ' NE2' ' A' ' 8' ' ' GLN . 52.3 mt-10 -67.92 -53.14 28.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.668 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 8.1 m-85 -49.02 -28.65 4.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 111.005 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 1.3 mttm -39.77 -60.9 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -49.61 -40.15 38.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -52.16 -56.06 16.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.597 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 63.7 t80 -53.56 -32.93 52.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.7 m -57.52 -51.36 69.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -38.05 -58.95 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.677 ' CB ' HD13 ' A' ' 27' ' ' ILE . 66.0 m-85 -67.58 -46.25 73.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.429 ' HB2' HG12 ' A' ' 27' ' ' ILE . 5.5 t0 -79.63 94.59 5.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -88.58 9.43 24.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -105.94 -18.14 14.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.18 15.22 13.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 111.067 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 35.1 p-10 -74.53 -37.57 63.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.774 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 125.51 2.59 7.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.554 1.159 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.456 ' HB ' ' CG2' ' A' ' 62' ' ' THR . 19.5 p -132.3 146.01 51.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 110.374 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.677 HD13 ' CB ' ' A' ' 19' ' ' PHE . 90.0 mt -114.91 102.42 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 29' ' ' THR . 9.7 t -76.0 -152.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.4 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.504 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.5 p -86.74 -45.66 10.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.373 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -59.81 -48.33 82.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -62.61 -26.09 68.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.81 HD23 ' CD2' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -83.72 -37.99 21.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.49 7.08 58.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.727 HG23 HH21 ' A' ' 37' ' ' ARG . 0.7 OUTLIER -92.28 -69.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.403 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.666 ' N ' HG22 ' A' ' 34' ' ' THR . 2.6 t -46.39 -25.5 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' GLN . 0.9 OUTLIER -59.16 -43.99 92.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.727 HH21 HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -76.73 -0.51 23.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 m -94.99 -14.63 24.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.8 -31.49 6.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.11 43.61 0.18 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' MET . 21.4 mt-30 -133.81 175.15 9.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.427 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 11.0 t-20 176.88 64.02 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.01 159.31 41.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.9 p -73.09 173.36 9.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -71.95 -16.75 62.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.93 -45.8 23.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -58.91 -60.49 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.81 ' CD2' HD23 ' A' ' 32' ' ' LEU . 8.3 mt -42.51 -59.04 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -42.45 -42.44 3.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -39.1 84.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 48' ' ' LEU . 6.4 mtt -69.37 -56.62 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.779 HG23 HG12 ' A' ' 63' ' ' ILE . 5.8 mt -44.68 -46.52 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -50.76 -41.96 57.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 51' ' ' MET . 12.0 mt-10 -57.01 -34.48 68.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.84 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -111.49 30.11 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -154.05 102.25 2.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.92 -11.27 26.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -76.89 -40.07 48.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.42 32.5 25.02 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.46 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 31.2 p-10 -81.06 -17.81 48.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.4 -29.45 11.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.456 ' CG2' ' HB ' ' A' ' 26' ' ' THR . 1.5 m -101.81 168.23 9.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.779 HG12 HG23 ' A' ' 52' ' ' ILE . 1.2 mm -115.34 131.73 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.651 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 27.0 m-20 -103.55 178.79 4.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.747 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 24.3 t80 -66.15 -44.45 59.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.747 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -75.08 -9.84 20.83 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.452 1.764 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.618 ' O ' HG22 ' A' ' 70' ' ' THR . 1.3 mm-40 -99.95 -28.94 12.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -89.89 -32.8 16.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.483 HD21 HG13 ' A' ' 9' ' ' ILE . 9.9 mt -41.62 -44.59 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.84 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.7 t -52.54 -46.97 66.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -47.02 -53.45 12.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.499 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.8 mmt -53.81 -50.87 65.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.75 -50.93 9.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 74' ' ' ARG . 24.8 mtm105 -92.09 48.63 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.669 ' O ' ' HB2' ' A' ' 1' ' ' ALA . 49.0 mtp . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.501 0.191 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 0' ' ' MET . . . 165.38 175.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -166.61 74.36 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.25 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 171.67 140.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.299 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.491 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.4 OUTLIER -74.02 -177.63 2.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.491 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -153.75 -165.09 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.422 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.463 ' O ' HG22 ' A' ' 9' ' ' ILE . 48.2 mt-10 -43.69 -33.72 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -38.49 -37.97 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.473 ' OE1' ' CB ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -74.8 -46.26 38.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.604 HD11 HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -55.81 -39.57 56.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.36 -40.23 2.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.148 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -66.39 -42.01 88.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.674 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 56.3 m-85 -64.99 -34.46 78.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.534 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 14.8 mttt -40.67 -64.14 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -45.11 -38.92 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -58.22 -55.89 29.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.634 ' CD1' ' CD1' ' A' ' 27' ' ' ILE . 48.3 t80 -57.74 -31.68 66.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.0 OUTLIER -61.92 -49.02 77.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 109.99 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.5 -66.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.555 ' CB ' HD13 ' A' ' 27' ' ' ILE . 35.1 m-85 -56.37 -47.53 78.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.499 ' CG ' ' N ' ' A' ' 21' ' ' LYS . 1.8 t70 -68.78 169.4 11.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.499 ' N ' ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -178.28 37.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -137.09 10.64 3.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 37.49 29.05 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 22' ' ' ASP . 5.4 p-10 -98.89 -33.55 10.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.24 21.74 7.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 0.6 OUTLIER -133.77 160.67 36.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 110.383 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.634 ' CD1' ' CD1' ' A' ' 16' ' ' PHE . 67.8 mt -129.83 86.91 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.628 HG22 ' OE2' ' A' ' 31' ' ' GLU . 8.8 t -63.83 -154.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.408 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.52 ' N ' ' OG1' ' A' ' 28' ' ' THR . 3.4 p -89.29 -57.49 2.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.23 -33.47 5.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.628 ' OE2' HG22 ' A' ' 28' ' ' THR . 33.5 mt-10 -76.98 -34.74 57.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.815 ' HB3' HD22 ' A' ' 48' ' ' LEU . 2.1 tp -72.05 -27.32 62.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.02 -2.31 64.55 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.82 -61.31 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.435 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 2.2 t -49.67 -27.79 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -44.14 85.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -55.49 -20.74 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 t -82.7 -7.2 59.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.52 9.6 15.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.47 23.58 67.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -109.61 179.91 4.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 176.58 72.21 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 139.91 24.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.47 1.773 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.6 p -59.23 161.19 5.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.346 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -59.84 -21.56 61.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.13 -45.21 61.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.79 -60.08 4.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.815 HD22 ' HB3' ' A' ' 32' ' ' LEU . 7.8 mt -45.99 -59.21 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -40.68 -44.94 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.39 -42.51 96.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 48' ' ' LEU . 4.8 mtt -66.4 -58.15 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.825 HG23 HG12 ' A' ' 63' ' ' ILE . 6.3 mt -43.65 -48.11 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -48.62 -45.85 38.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -53.06 -36.0 60.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.803 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -111.16 33.38 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -156.33 97.74 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.51 -11.08 32.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.474 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -77.92 -36.75 49.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.48 33.47 38.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.441 1.088 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.474 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 46.6 p-10 -78.71 -20.98 48.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 0.718 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 103.12 -28.26 16.52 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.424 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 10.3 p -106.55 170.29 8.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.825 HG12 HG23 ' A' ' 52' ' ' ILE . 1.1 mm -114.76 138.39 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.606 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 7.0 m-20 -106.5 -169.53 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.693 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 10.7 t80 -79.06 -44.2 1.74 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.991 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.693 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.5 Cg_endo -74.98 -13.91 21.32 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.459 1.768 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.609 ' O ' HG22 ' A' ' 70' ' ' THR . 16.4 mt-10 -94.76 -24.9 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 71' ' ' MET . 1.0 OUTLIER -93.46 -35.57 12.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.604 HD13 HD11 ' A' ' 9' ' ' ILE . 10.8 mt -41.7 -38.59 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.803 ' CG2' HG12 ' A' ' 55' ' ' VAL . 2.1 t -58.44 -45.37 88.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -46.49 -50.69 16.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 111.048 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.47 -43.54 98.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.36 -44.83 62.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 75' ' ' LYS . 4.3 mtp85 -97.66 48.88 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 74' ' ' ARG . 7.9 mtpt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.497 0.189 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -163.57 -177.87 5.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 3' ' ' GLN . 0.9 OUTLIER -154.24 110.15 3.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.493 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.7 OUTLIER 161.0 126.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.357 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.473 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.5 OUTLIER -57.76 179.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.473 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -151.88 -164.76 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.384 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 9' ' ' ILE . 30.8 mt-10 -44.53 -34.24 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' GLU . 2.3 mt-10 -38.09 -39.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' OE1' HD13 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -72.65 -46.18 55.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.26 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.546 HG13 HD21 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -55.75 -42.26 69.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -45.08 -38.63 5.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -66.41 -37.67 85.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.521 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 10.8 m-85 -72.86 -34.81 67.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 3.1 mtmm -37.91 -55.0 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -54.52 -44.33 72.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -49.82 -55.71 13.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.618 ' CE1' HD12 ' A' ' 27' ' ' ILE . 67.3 t80 -52.39 -32.82 40.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.5 t -60.24 -52.65 64.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -38.11 -58.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.498 ' CB ' HD13 ' A' ' 27' ' ' ILE . 38.4 m-85 -66.48 -42.87 86.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -79.17 91.76 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.92 21.9 8.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -118.89 -6.99 10.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.48 73.12 0.22 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 32.0 p-10 -137.53 -43.01 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 0.76 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.42 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 136.94 -7.13 3.8 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 11.4 p -121.79 165.94 15.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.414 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.618 HD12 ' CE1' ' A' ' 16' ' ' PHE . 90.0 mt -132.3 94.94 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.5 ' OG1' ' N ' ' A' ' 29' ' ' THR . 9.9 t -71.12 -154.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.381 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.5 ' N ' ' OG1' ' A' ' 28' ' ' THR . 12.5 p -87.04 -51.1 6.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.381 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.51 -36.43 66.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -76.57 -22.28 54.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.335 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.624 HD22 HG13 ' A' ' 52' ' ' ILE . 4.1 tp -83.19 -28.49 29.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 36' ' ' MET . . . -87.08 -38.05 8.06 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.539 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.7 OUTLIER -42.09 -63.08 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.777 . . . . 0.0 110.38 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.539 ' N ' HG22 ' A' ' 34' ' ' THR . 2.4 t -46.97 -40.7 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -67.41 -40.55 85.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.983 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.424 ' CZ ' ' ND2' ' A' ' 42' ' ' ASN . 2.3 mmt180 -46.86 -33.82 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -112.66 42.32 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -147.68 35.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 57.34 16.83 22.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.418 ' O ' ' OD1' ' A' ' 42' ' ' ASN . 31.3 mt-30 -120.16 175.65 5.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.779 . . . . 0.0 110.338 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.424 ' ND2' ' CZ ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER 177.99 64.68 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.4 Cg_endo -74.95 125.89 9.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.782 . . . . 0.0 111.021 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.7 p -50.95 175.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.374 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.77 -14.93 62.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.72 -45.5 15.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.97 -58.48 8.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.547 HD22 ' HB3' ' A' ' 32' ' ' LEU . 9.2 mt -44.26 -59.11 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -41.42 -46.05 3.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -42.13 98.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 48' ' ' LEU . 8.4 mtt -65.02 -49.32 70.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.624 HG13 HD22 ' A' ' 32' ' ' LEU . 1.7 mt -61.04 -25.79 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -82.36 6.97 15.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 51' ' ' MET . 3.7 mt-10 -104.77 -21.27 13.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.902 HG12 HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -111.72 -44.27 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 21.2 t70 -75.71 105.51 6.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.27 -13.93 27.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.464 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -75.43 -36.22 60.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.89 32.27 33.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.1 . . . . 0.0 110.98 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.464 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 30.4 p-10 -79.48 -19.87 48.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.18 -37.25 3.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.123 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 m -97.5 165.72 11.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 110.415 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.589 HD11 HG23 ' A' ' 55' ' ' VAL . 1.8 mm -114.83 137.47 48.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.641 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.2 m-20 -110.17 -169.38 1.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.663 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 5.4 t80 -74.28 -44.07 5.93 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.663 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.94 -11.27 21.58 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' A' ' 64' ' ' ASP . 11.6 mt-10 -99.6 -21.2 15.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.54 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -98.39 -32.56 11.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.948 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.546 HD21 HG13 ' A' ' 9' ' ' ILE . 13.8 mt -46.49 -29.93 1.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.902 HG23 HG12 ' A' ' 55' ' ' VAL . 0.1 OUTLIER -68.4 -39.18 81.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.377 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -55.96 -41.22 74.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.54 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.3 mmt -70.49 -41.29 72.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.73 91.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.57 63.39 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.508 0.194 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -177.14 174.85 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 3' ' ' GLN . 22.5 t70 -111.65 101.13 9.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.404 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.8 OUTLIER 167.37 133.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.487 HD22 HE22 ' A' ' 8' ' ' GLN . 0.8 OUTLIER -52.78 -176.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.451 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 1.1 p -151.17 -162.99 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 7' ' ' GLU . 41.4 mt-10 -48.64 -32.35 8.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 6' ' ' GLU . 1.6 mt-10 -37.85 -41.27 0.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.487 HE22 HD22 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -76.03 -48.58 20.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.646 HD11 HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -54.23 -44.09 63.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.21 -38.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.58 -43.8 79.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.641 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 58.6 m-85 -62.28 -33.69 75.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 19.4 mttm -39.93 -62.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -47.1 -39.33 13.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -58.25 -56.87 16.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.601 ' CD1' ' CD1' ' A' ' 27' ' ' ILE . 28.7 t80 -50.69 -32.25 18.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.8 t -62.45 -53.49 54.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.948 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.504 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -35.85 -47.13 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.6 ' CB ' HD13 ' A' ' 27' ' ' ILE . 50.5 m-85 -83.58 -49.22 9.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.411 ' HB2' HG12 ' A' ' 27' ' ' ILE . 1.7 t70 -73.37 110.99 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.42 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -145.11 61.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.344 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -146.98 -47.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.435 ' N ' ' CG ' ' A' ' 22' ' ' ASP . . . 110.4 92.89 2.19 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.418 ' H ' ' H ' ' A' ' 25' ' ' GLY . 17.0 p30 167.34 24.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.749 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.418 ' H ' ' H ' ' A' ' 24' ' ' ASP . . . 40.48 39.04 1.6 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.511 HG23 ' OG1' ' A' ' 62' ' ' THR . 0.5 OUTLIER -143.34 156.81 44.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 110.384 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.601 ' CD1' ' CD1' ' A' ' 16' ' ' PHE . 77.8 mt -122.88 80.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' A' ' 29' ' ' THR . 9.8 t -58.73 -153.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.449 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.498 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.1 p -84.8 -61.92 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.43 -54.22 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.42 ' OE2' ' N ' ' A' ' 21' ' ' LYS . 49.1 mt-10 -56.71 -42.87 79.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.639 HD23 ' CD2' ' A' ' 48' ' ' LEU . 1.1 tp -65.91 -24.02 66.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.94 18.34 55.96 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.3 -44.5 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.754 . . . . 0.0 110.397 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 2.2 t -67.61 -25.92 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.25 -42.46 68.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 111.046 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -78.33 -2.42 38.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 t -97.78 10.16 40.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.95 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.81 -72.7 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.28 34.64 0.08 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -132.35 -179.03 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 0.741 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 176.04 71.41 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 155.77 43.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.2 p -78.88 154.74 29.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.38 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.34 -22.84 1.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.352 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.14 -45.01 51.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.365 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.36 -59.9 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.639 ' CD2' HD23 ' A' ' 32' ' ' LEU . 6.2 mt -43.03 -57.91 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -43.02 -42.92 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.83 -37.21 81.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 48' ' ' LEU . 7.5 mtp -72.49 -52.51 15.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.509 HG13 HD22 ' A' ' 32' ' ' LEU . 1.7 mt -46.83 -45.64 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -51.43 -32.62 27.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 51' ' ' MET . 29.2 mt-10 -63.15 -33.3 75.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.863 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -117.16 33.15 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.252 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.16 100.81 2.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.5 -9.1 30.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.504 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -79.32 -36.93 38.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.24 34.87 39.72 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.504 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 52.9 p-10 -79.85 -20.42 46.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.492 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 104.48 -28.56 14.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.511 ' OG1' HG23 ' A' ' 26' ' ' THR . 6.1 t -108.34 172.29 6.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 110.397 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.675 ' CD1' HG23 ' A' ' 55' ' ' VAL . 1.5 mm -114.98 145.32 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.596 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 2.2 m-20 -114.19 -169.98 1.63 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.158 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.723 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 12.4 t80 -77.44 -44.81 2.62 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.723 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.03 -13.19 21.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.523 1.801 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.625 ' O ' HG22 ' A' ' 70' ' ' THR . 1.1 mm-40 -94.37 -27.72 15.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -90.72 -36.87 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.97 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.646 HD13 HD11 ' A' ' 9' ' ' ILE . 8.9 mt -39.42 -43.88 1.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.863 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.3 t -51.84 -50.99 59.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.403 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -42.71 -56.7 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.473 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.4 mmt -54.77 -41.93 71.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 70' ' ' THR . . . -47.13 -44.33 21.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -104.71 60.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.473 0.178 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -47.65 98.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -130.34 156.31 44.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.369 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 168.03 143.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.567 ' C ' HG23 ' A' ' 5' ' ' THR . 0.3 OUTLIER -64.77 -172.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.567 HG23 ' C ' ' A' ' 4' ' ' LEU . 1.3 p 60.38 -149.39 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' N ' ' OG1' ' A' ' 5' ' ' THR . 9.6 mt-10 -37.35 -63.82 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 2.4 mm-40 -39.0 -38.39 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -62.55 -53.46 54.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.328 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -48.01 -48.19 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.44 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -40.28 -38.15 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -72.19 -46.31 56.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.567 ' CD2' HD23 ' A' ' 69' ' ' LEU . 20.8 m-85 -52.36 -30.48 29.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' PHE . 7.7 mttm -40.31 -55.34 2.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -54.0 -42.68 69.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -51.28 -54.59 24.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.689 ' CE1' ' CD1' ' A' ' 27' ' ' ILE . 47.4 t80 -51.78 -33.64 36.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.3 m -61.63 -52.12 65.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.986 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -36.11 -57.11 0.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.692 ' CE1' HG11 ' A' ' 35' ' ' VAL . 4.0 m-30 -67.87 -45.56 74.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.402 ' HB2' HG12 ' A' ' 27' ' ' ILE . 2.2 t70 -73.47 85.93 1.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.73 19.93 4.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -116.28 -10.53 11.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 44.58 74.76 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -139.62 -43.91 0.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 0.779 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 138.49 -8.98 3.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 7.0 p -120.64 169.74 10.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 0.717 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.689 ' CD1' ' CE1' ' A' ' 16' ' ' PHE . 71.3 mt -135.62 107.86 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.668 ' O ' HD11 ' A' ' 52' ' ' ILE . 4.8 t -80.92 -149.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.409 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.583 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.1 p -90.85 -52.8 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -56.78 -31.65 64.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.42 ' H ' HG23 ' A' ' 28' ' ' THR . 57.4 mt-10 -80.61 -17.16 52.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.71 HD23 HD23 ' A' ' 48' ' ' LEU . 1.1 tp -91.38 -30.56 16.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.07 1.62 70.67 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.23 -34.33 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.692 HG11 ' CE1' ' A' ' 19' ' ' PHE . 2.5 t -83.78 -25.16 7.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.107 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -35.48 69.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.74 13.26 7.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.97 -37.08 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.35 -76.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.14 30.7 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.465 1.103 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -127.88 -176.68 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 0.751 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.431 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 33.2 t30 177.1 63.79 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.3 Cg_endo -75.02 139.8 24.66 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.42 ' H ' HG23 ' A' ' 44' ' ' THR . 35.8 p -58.12 178.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.14 -20.32 60.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.83 -46.32 25.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -56.78 -57.48 12.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.238 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.71 HD23 HD23 ' A' ' 32' ' ' LEU . 7.6 mt -46.72 -60.65 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' LEU . 15.6 tp60 -37.44 -40.5 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.462 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 0.3 OUTLIER -71.81 -51.12 24.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.458 ' O ' HG22 ' A' ' 55' ' ' VAL . 22.2 mtt -52.16 -33.85 42.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.822 HG23 HG12 ' A' ' 63' ' ' ILE . 2.4 mt -70.67 -51.17 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.544 ' OD1' ' C ' ' A' ' 53' ' ' ASN . 21.1 p30 -76.31 -0.16 21.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 1.2 mm-40 -84.46 -19.1 33.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.622 HG23 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -118.73 -43.72 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 109.346 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -66.12 122.41 17.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.11 -6.88 17.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.491 ' OD2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -81.33 -36.49 29.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.91 30.92 45.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.491 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 43.2 p-10 -72.96 -22.37 60.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.31 -26.88 18.87 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.8 p -110.76 178.45 4.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 0.749 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.822 HG12 HG23 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -119.98 137.86 52.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.613 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 5.3 m-20 -101.91 -169.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.693 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 13.4 t80 -78.13 -44.06 2.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 1.009 ' HA ' HD12 ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.03 -25.67 11.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.441 1.758 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.521 ' O ' ' CG2' ' A' ' 70' ' ' THR . 26.8 mt-10 -81.84 -21.59 37.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -91.79 -34.38 14.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.009 HD12 ' HA ' ' A' ' 66' ' ' PRO . 4.9 mt -43.37 -44.03 5.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -52.8 -46.47 67.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.424 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -44.5 48.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -42.33 95.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.1 -47.06 81.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -108.38 60.04 0.61 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.471 0.176 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -106.96 178.13 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -139.97 179.88 6.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 63.46 125.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.598 HD13 ' HG3' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -62.93 178.77 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.483 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -152.87 -161.92 1.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.369 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 9' ' ' ILE . 51.7 mt-10 -45.16 -36.1 3.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -38.04 -38.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.598 ' HG3' HD13 ' A' ' 4' ' ' LEU . 7.4 mm-40 -73.31 -45.7 53.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.53 HD11 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -56.66 -47.47 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.427 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -39.94 -39.13 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -69.46 -46.39 66.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.735 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 7.5 m-85 -56.48 -30.06 62.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 111.047 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 15.8 mttp -39.7 -64.07 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -46.17 -38.66 8.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -52.48 -55.43 22.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.54 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 66.4 t80 -53.47 -36.37 61.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.4 t -57.16 -52.24 66.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.961 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -36.89 -45.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.62 ' CB ' HD13 ' A' ' 27' ' ' ILE . 43.0 m-85 -83.8 -45.64 13.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.497 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 19.2 t0 -83.18 87.88 6.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -58.62 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.41 ' OD2' ' CD ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -49.29 -23.29 1.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 59.87 15.45 35.04 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 41.8 p-10 -59.35 -33.94 71.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.776 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.458 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 128.04 -0.59 6.63 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 47.3 p -132.23 146.33 51.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 110.387 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.62 HD13 ' CB ' ' A' ' 19' ' ' PHE . 87.4 mt -113.19 101.96 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.65 HG22 ' HG3' ' A' ' 31' ' ' GLU . 6.5 t -74.97 -152.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.362 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.549 ' N ' ' OG1' ' A' ' 28' ' ' THR . 25.1 p -89.3 -49.63 6.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.398 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -30.9 65.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.65 ' HG3' HG22 ' A' ' 28' ' ' THR . 1.4 mm-40 -80.43 -25.17 39.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.837 ' HB3' HD22 ' A' ' 48' ' ' LEU . 2.6 tp -80.97 -20.1 42.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.16 23.13 32.86 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.428 ' HA ' ' NE ' ' A' ' 37' ' ' ARG . 0.8 OUTLIER -111.41 -30.89 7.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.789 . . . . 0.0 110.355 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 2.3 t -82.95 -25.72 8.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -42.93 65.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 34' ' ' THR . 6.1 ptp180 -58.42 -17.07 17.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 m -92.4 6.27 47.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.988 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.8 1.98 8.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.94 28.03 22.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.67 -178.94 3.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 110.362 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.8 t30 175.69 72.17 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 138.44 22.98 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.796 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.8 p -60.51 156.53 16.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.385 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -52.86 -28.39 22.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.84 -44.7 80.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -58.77 -61.77 2.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.289 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.837 HD22 ' HB3' ' A' ' 32' ' ' LEU . 8.8 mt -45.03 -59.27 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -41.46 -42.43 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 110.281 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -40.73 82.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' LEU . 10.1 mtp -67.28 -58.46 4.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.782 HG23 HG12 ' A' ' 63' ' ' ILE . 5.9 mt -43.25 -47.45 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -50.66 -41.9 55.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' MET . 11.9 mt-10 -58.08 -30.82 66.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.975 HG12 HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -115.11 32.55 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -154.35 104.48 2.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.41 -14.35 22.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.483 ' OD2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -73.11 -44.08 60.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.32 30.19 17.28 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.483 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 50.3 p-10 -81.07 -17.99 48.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.466 ' O ' HG21 ' A' ' 52' ' ' ILE . . . 97.7 -30.72 8.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.413 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 2.6 p -98.41 167.61 10.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 110.409 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.782 HG12 HG23 ' A' ' 52' ' ' ILE . 1.1 mm -116.09 130.89 70.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.634 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.6 m-20 -102.11 -174.59 2.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.72 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 7.9 t80 -68.5 -45.16 36.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.72 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -74.99 -9.23 20.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.582 ' O ' HG22 ' A' ' 70' ' ' THR . 1.5 mm-40 -99.89 -27.54 13.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.581 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -93.18 -31.33 14.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.53 HD22 HD11 ' A' ' 9' ' ' ILE . 12.8 mt -46.46 -31.23 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.975 HG23 HG12 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -69.57 -37.42 76.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -54.88 -59.45 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.581 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -52.54 -39.65 61.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.02 -55.75 29.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -117.93 71.37 0.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 1.016 ' OXT' ' CG ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.9 mtm . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.502 0.191 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -144.74 -160.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 3' ' ' GLN . 29.5 p-10 -123.44 166.06 16.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 1.1 mt-30 163.83 130.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.501 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.3 OUTLIER -78.92 177.08 9.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.501 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -155.0 -164.24 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 9' ' ' ILE . 64.2 mt-10 -42.93 -32.25 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.49 -40.89 1.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.45 -43.33 99.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.585 HD11 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -55.81 -47.93 78.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.431 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -42.38 -36.19 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -70.44 -43.02 70.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.624 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 4.0 m-85 -61.86 -32.17 72.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.551 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 72.8 mttt -38.25 -59.18 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -51.04 -42.34 60.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -49.42 -53.33 23.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.522 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 77.0 t80 -53.05 -36.91 61.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -54.55 -52.57 61.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 109.982 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.469 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -35.79 -51.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.59 ' CB ' HD13 ' A' ' 27' ' ' ILE . 67.8 m-85 -76.53 -42.84 41.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.51 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 24.8 t0 -86.66 93.12 9.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -60.16 3.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -49.47 -24.23 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 61.68 16.95 52.87 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 35.7 p-10 -60.75 -33.67 73.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 130.23 -11.79 5.82 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.408 HG22 ' OD1' ' A' ' 64' ' ' ASP . 67.9 p -121.08 146.55 46.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.59 HD13 ' CB ' ' A' ' 19' ' ' PHE . 78.5 mt -113.86 105.92 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.516 ' OG1' ' N ' ' A' ' 29' ' ' THR . 9.3 t -76.77 -152.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.358 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.516 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.9 p -83.06 -57.69 3.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 34' ' ' THR . 3.5 tttt -51.72 -55.7 18.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -53.92 -20.68 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.786 HD23 ' CD2' ' A' ' 48' ' ' LEU . 1.7 tp -88.02 -42.99 12.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.7 -10.83 85.98 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.524 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -71.64 -67.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 110.431 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.524 ' N ' HG22 ' A' ' 34' ' ' THR . 2.1 t -45.26 -31.63 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -44.92 89.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -69.21 -26.48 64.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.3 p -88.0 3.51 48.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.26 -78.52 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.39 34.97 0.08 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 0.0 110.963 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -137.21 -175.66 4.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 t30 176.99 65.54 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.553 ' HG2' HD21 ' A' ' 48' ' ' LEU . 18.1 Cg_endo -75.08 144.0 29.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.456 1.767 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.5 p -70.78 162.6 28.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -55.84 -19.2 10.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.86 -45.93 19.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.45 -61.44 2.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.786 ' CD2' HD23 ' A' ' 32' ' ' LEU . 9.4 mt -41.72 -57.82 2.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 48' ' ' LEU . 2.9 tp60 -38.06 -43.85 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.38 -44.2 68.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 48' ' ' LEU . 13.0 mtt -61.72 -38.54 88.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.572 HG23 HG12 ' A' ' 63' ' ' ILE . 1.8 mt -65.44 -50.74 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -62.83 -40.31 97.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -40.7 -34.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.53 HG23 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -111.91 -49.27 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 1.6 t70 -62.56 95.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.41 -8.55 50.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.469 ' OD2' ' CB ' ' A' ' 60' ' ' ASN . 4.8 p-10 -77.87 -26.89 49.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 53.95 38.24 59.84 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.445 1.09 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.469 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 2.8 p-10 -102.63 -5.01 24.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 0.799 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.71 ' C ' HG23 ' A' ' 62' ' ' THR . . . 97.55 143.4 14.84 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.71 HG23 ' C ' ' A' ' 61' ' ' GLY . 1.0 OUTLIER 65.66 172.56 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 110.421 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.572 HG12 HG23 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -123.71 135.17 64.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.642 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 12.7 m-20 -103.39 -173.34 2.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.701 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 5.8 t80 -66.4 -45.01 58.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.96 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.701 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -74.96 -9.07 20.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.492 ' HB2' HG23 ' A' ' 63' ' ' ILE . 3.0 mm-40 -100.84 -27.45 13.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.574 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -93.66 -30.05 15.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.585 HD22 HD11 ' A' ' 9' ' ' ILE . 11.0 mt -46.0 -32.8 2.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -69.63 -38.29 77.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -52.81 -53.17 52.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.574 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.5 OUTLIER -57.98 -43.99 86.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.51 -46.75 70.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -111.87 62.68 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.473 ' O ' ' HB2' ' A' ' 1' ' ' ALA . 3.1 tmm? . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.49 0.186 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 0' ' ' MET . . . 176.84 166.18 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -88.31 166.83 14.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 78.07 157.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.79 -171.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 p -76.44 155.6 33.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.8 -51.14 68.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -39.35 -37.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.449 ' OE1' ' CA ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -76.23 -50.47 14.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.645 HD11 HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -54.06 -43.34 58.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -42.63 -39.95 2.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -65.56 -41.17 93.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.557 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 49.4 m-85 -66.53 -35.9 81.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.575 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 13.3 mttt -39.4 -58.38 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -50.83 -41.62 57.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -55.91 -54.99 38.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.579 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 41.1 t80 -53.72 -31.53 48.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -61.33 -50.85 71.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -39.48 -61.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.689 ' CB ' HD13 ' A' ' 27' ' ' ILE . 49.6 m-85 -64.73 -45.81 84.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 3.7 t70 -76.87 84.33 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.96 22.52 5.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.431 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -115.73 -13.88 11.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.02 79.81 0.07 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.568 ' OD2' HG22 ' A' ' 26' ' ' THR . 7.0 p-10 -146.85 -41.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 0.817 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 128.06 6.69 4.81 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.142 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.568 HG22 ' OD2' ' A' ' 24' ' ' ASP . 0.7 OUTLIER -137.54 152.93 49.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 110.405 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.689 HD13 ' CB ' ' A' ' 19' ' ' PHE . 71.4 mt -118.87 102.61 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.616 HG22 ' CD ' ' A' ' 31' ' ' GLU . 6.7 t -74.81 -152.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.423 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.549 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.1 p -89.18 -51.64 5.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 110.412 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.59 -31.76 66.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.616 ' CD ' HG22 ' A' ' 28' ' ' THR . 50.0 mt-10 -79.61 -24.47 41.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.723 HD23 HD22 ' A' ' 48' ' ' LEU . 1.9 tp -82.26 -27.59 32.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.92 0.5 60.69 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.04 -39.53 21.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 110.357 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -73.97 -25.12 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.02 -39.89 60.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -78.48 -9.24 59.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.14 -11.6 57.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.048 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.04 -77.25 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.56 31.99 0.1 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -125.05 -176.49 3.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 110.245 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.5 t30 176.09 70.29 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HG2' HD21 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.99 124.08 8.36 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.483 1.78 . . . . 0.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 44' ' ' THR . 60.7 p -50.27 156.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -52.45 -30.57 30.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.49 -44.05 92.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -59.7 -62.95 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.723 HD22 HD23 ' A' ' 32' ' ' LEU . 12.1 mt -44.32 -59.17 2.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -40.79 -44.68 2.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -39.63 88.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.513 ' N ' ' O ' ' A' ' 48' ' ' LEU . 59.1 mtp -70.0 -54.67 12.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.955 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.539 ' HA ' HD11 ' A' ' 63' ' ' ILE . 1.2 mt -45.54 -45.65 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -52.55 -36.21 55.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 51' ' ' MET . 10.1 mt-10 -63.07 -31.22 72.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.815 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -115.89 34.26 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -158.66 95.29 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.89 -8.42 49.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -80.6 -35.66 33.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.52 34.49 49.76 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 40.9 p-10 -77.11 -21.46 54.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 0.791 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.13 -29.12 11.1 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.442 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 43.7 p -109.59 -178.45 3.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 0.738 . . . . 0.0 110.377 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.673 ' CD1' HG23 ' A' ' 55' ' ' VAL . 1.2 mm -121.49 145.64 27.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.6 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.2 m-20 -113.27 -170.14 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.704 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 9.1 t80 -76.37 -44.99 3.5 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.704 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.97 -13.0 21.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.603 ' O ' HG22 ' A' ' 70' ' ' THR . 0.9 OUTLIER -95.26 -26.7 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.548 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -91.99 -38.01 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 111.006 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.645 HD13 HD11 ' A' ' 9' ' ' ILE . 11.1 mt -38.63 -42.02 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.815 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.2 t -56.31 -50.03 72.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.444 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -42.98 -52.0 5.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.548 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.8 OUTLIER -58.37 -48.98 78.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.46 -44.84 46.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -116.83 68.76 0.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.555 0.217 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -155.58 91.74 1.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.5 142.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -141.81 93.65 2.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.732 ' C ' HG23 ' A' ' 5' ' ' THR . 0.8 OUTLIER -96.35 -156.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.732 HG23 ' C ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER 67.35 -149.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.473 ' N ' ' OG1' ' A' ' 5' ' ' THR . 32.0 mt-10 -33.38 -53.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' GLU . 2.1 mm-40 -37.24 -43.29 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.1 tp-100 -65.52 -53.2 45.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.586 HD11 HD22 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -49.31 -48.66 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . -36.93 -39.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -68.15 -52.72 31.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.583 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 37.8 m-85 -45.75 -26.26 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -41.87 -59.24 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.63 -44.64 63.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -47.35 -55.86 8.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.562 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 58.3 t80 -53.95 -34.07 58.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -59.17 -50.29 74.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -36.77 -53.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.621 ' CB ' HD13 ' A' ' 27' ' ' ILE . 75.4 m-85 -75.14 -44.61 46.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.498 ' HB2' HG12 ' A' ' 27' ' ' ILE . 22.0 t0 -82.67 87.96 6.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -63.04 -59.15 5.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.64 -22.57 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.47 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 56.99 16.38 17.9 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 p30 -60.52 -27.33 67.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.6 7.98 8.57 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 12.1 p -139.7 149.79 44.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 110.424 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.621 HD13 ' CB ' ' A' ' 19' ' ' PHE . 82.4 mt -116.77 108.09 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.37 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.586 ' OG1' ' N ' ' A' ' 29' ' ' THR . 5.0 t -79.77 -150.84 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.394 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.586 ' N ' ' OG1' ' A' ' 28' ' ' THR . 15.8 p -89.62 -47.87 7.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.456 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -61.51 -41.09 96.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.544 ' OE2' HG22 ' A' ' 28' ' ' THR . 41.3 mt-10 -69.24 -21.89 63.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.788 HD23 ' CD2' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -86.35 -37.64 18.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.27 6.44 76.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -90.35 -61.94 1.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 110.422 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.412 ' N ' HG22 ' A' ' 34' ' ' THR . 2.1 t -50.47 -25.5 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -29.8 68.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.458 ' NH2' ' CG ' ' A' ' 42' ' ' ASN . 1.3 mmt180 -50.72 -52.79 37.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.6 m -52.52 -29.85 27.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -92.87 36.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 38.03 29.7 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' LEU . 10.3 mt-30 -105.89 -178.29 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 0.739 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.458 ' CG ' ' NH2' ' A' ' 37' ' ' ARG . 14.7 t-20 170.17 74.11 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.316 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HG2' HD21 ' A' ' 48' ' ' LEU . 18.2 Cg_endo -75.04 130.82 13.58 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.82 . . . . 0.0 110.953 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.2 p -50.2 155.82 0.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.447 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -52.41 -34.81 49.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.29 98.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -61.77 2.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.788 ' CD2' HD23 ' A' ' 32' ' ' LEU . 8.0 mt -45.59 -57.9 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -42.74 -41.75 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.251 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -39.67 82.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.2 mtt -67.89 -55.82 11.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.876 HG23 HG12 ' A' ' 63' ' ' ILE . 5.1 mt -44.66 -46.63 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.354 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -51.41 -50.29 59.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -51.42 -33.65 31.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.85 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -110.06 34.51 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -159.17 108.87 1.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.99 -10.01 20.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.263 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.483 ' OD2' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -77.7 -42.82 33.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.13 31.24 23.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.483 ' CB ' ' OD2' ' A' ' 58' ' ' ASP . 29.6 p-10 -79.02 -17.73 54.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.2 -28.98 12.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 111.039 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.5 m -103.12 169.22 8.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 0.778 . . . . 0.0 110.399 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.876 HG12 HG23 ' A' ' 52' ' ' ILE . 1.1 mm -113.9 139.15 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.618 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.1 m-20 -105.81 -170.8 1.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.705 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 19.7 t80 -78.18 -43.85 2.18 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.1 Cg_endo -75.02 -18.4 18.71 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.584 ' O ' HG22 ' A' ' 70' ' ' THR . 25.6 mt-10 -89.53 -25.04 21.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.545 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -90.32 -33.48 16.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.684 HD12 ' HA ' ' A' ' 66' ' ' PRO . 11.6 mt -39.76 -45.64 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.85 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.8 t -51.9 -47.9 64.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.406 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -47.31 -53.25 14.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.545 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.0 mmt -52.54 -49.02 65.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.3 -52.88 9.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.489 ' O ' ' OXT' ' A' ' 75' ' ' LYS . 24.3 mtm180 -116.15 74.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.489 ' OXT' ' O ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.511 0.196 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -170.71 127.02 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -166.91 146.49 5.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -155.74 122.04 5.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.735 ' C ' HG23 ' A' ' 5' ' ' THR . 0.8 OUTLIER -100.52 -154.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.735 HG23 ' C ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER 67.58 -147.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.385 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.5 ' N ' ' OG1' ' A' ' 5' ' ' THR . 42.5 mt-10 -34.46 -52.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.247 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 6' ' ' GLU . 1.6 mm-40 -37.74 -41.64 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -66.09 -54.31 27.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.556 HD11 HD22 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -48.09 -48.97 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.441 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -37.7 -38.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.24 -52.54 32.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.485 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 34.2 m-85 -44.8 -26.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -43.84 -51.63 7.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -58.27 -41.51 84.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.244 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -52.63 -54.07 38.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.584 ' CE1' ' CD1' ' A' ' 27' ' ' ILE . 47.4 t80 -53.25 -35.58 60.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 18' ' ' LEU . 15.2 m -58.64 -50.45 73.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 0.0 110.006 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -35.55 -52.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.547 ' CB ' HD13 ' A' ' 27' ' ' ILE . 53.8 m-85 -76.27 -47.19 24.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.497 ' HB2' HG12 ' A' ' 27' ' ' ILE . 14.3 t0 -80.26 89.53 5.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -67.06 -54.35 22.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.62 -23.86 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.92 15.97 30.13 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.888 ' OD2' HG22 ' A' ' 26' ' ' THR . 11.5 p-10 -61.59 -31.45 71.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 0.733 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.46 4.93 7.38 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.888 HG22 ' OD2' ' A' ' 24' ' ' ASP . 1.4 t -137.12 154.61 50.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 110.406 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.584 ' CD1' ' CE1' ' A' ' 16' ' ' PHE . 85.3 mt -121.05 111.58 32.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.556 ' OG1' ' N ' ' A' ' 29' ' ' THR . 6.3 t -84.18 -150.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.556 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.1 p -86.95 -48.85 7.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.384 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -52.3 66.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -58.4 -23.47 57.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.358 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.792 HD23 ' CD2' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -85.88 -38.94 17.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.428 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -82.01 -1.36 90.28 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.535 1.147 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.528 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -82.94 -67.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 110.389 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.528 ' N ' HG22 ' A' ' 34' ' ' THR . 2.1 t -43.73 -26.97 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.432 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -67.1 -44.71 79.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.447 ' NH2' ' OD1' ' A' ' 42' ' ' ASN . 1.9 mtt-85 -53.75 -26.42 23.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.23 -1.56 37.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.004 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.51 15.97 11.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.77 19.22 76.56 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -106.12 176.06 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 110.324 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.447 ' OD1' ' NH2' ' A' ' 37' ' ' ARG . 30.3 t-20 176.46 72.0 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 132.56 15.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.481 1.779 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.1 p -48.08 169.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 110.37 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.45 -23.64 65.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.47 -44.51 67.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -60.27 -62.36 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.792 ' CD2' HD23 ' A' ' 32' ' ' LEU . 7.3 mt -42.34 -58.71 2.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.102 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -39.56 -46.58 1.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -44.51 95.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 48' ' ' LEU . 6.0 mtt -62.45 -41.94 99.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.841 HG23 HG12 ' A' ' 63' ' ' ILE . 5.4 mt -63.28 -32.95 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -83.95 -10.75 57.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 51' ' ' MET . 2.3 mt-10 -80.78 -14.61 57.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.881 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -122.04 -42.74 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.424 ' HB3' ' O ' ' A' ' 52' ' ' ILE . 27.3 t70 -74.77 112.54 11.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.99 -8.03 26.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.448 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -80.22 -36.49 34.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.23 32.96 41.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.448 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 35.8 p-10 -76.37 -21.68 55.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.84 -38.4 3.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.1 p -101.38 179.21 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.577 0.81 . . . . 0.0 110.389 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.841 HG12 HG23 ' A' ' 52' ' ' ILE . 1.3 mm -119.74 144.09 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.621 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 50.4 m-20 -109.4 -170.94 1.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.704 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 35.3 t80 -77.6 -43.96 2.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.979 ' HA ' HD12 ' A' ' 69' ' ' LEU . 18.2 Cg_endo -75.06 -20.97 16.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.475 1.776 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.499 ' O ' HG22 ' A' ' 70' ' ' THR . 1.3 mm-40 -85.32 -26.83 26.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.442 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -87.27 -29.86 21.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 111.009 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.979 HD12 ' HA ' ' A' ' 66' ' ' PRO . 7.9 mt -45.89 -55.89 6.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.881 ' CG2' HG12 ' A' ' 55' ' ' VAL . 8.8 t -40.36 -49.83 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.456 ' HA ' ' CG ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER -49.92 -39.09 39.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 111.049 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' LEU . 1.5 mmt -70.89 -33.66 70.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.43 -39.01 59.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.456 ' CG ' ' HA ' ' A' ' 71' ' ' MET . 0.8 OUTLIER -88.93 37.69 0.85 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 72' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.638 ' O ' ' HB2' ' A' ' 1' ' ' ALA . 3.0 ttp . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.497 0.189 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 0' ' ' MET . . . 167.51 172.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -137.28 -162.24 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -157.03 119.59 3.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.745 ' C ' HG23 ' A' ' 5' ' ' THR . 0.9 OUTLIER -110.35 -154.33 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.745 HG23 ' C ' ' A' ' 4' ' ' LEU . 1.1 p 68.39 -151.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.377 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 5' ' ' THR . 42.3 mt-10 -33.85 -49.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' GLU . 2.5 mm-40 -37.77 -42.69 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -73.68 -49.92 23.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.656 HD11 HD22 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -54.56 -46.39 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 9' ' ' ILE . . . -37.56 -37.92 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -70.77 -50.73 32.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.633 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 34.6 m-85 -46.91 -31.52 3.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 4.2 mttp -39.6 -59.06 1.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -50.94 -41.9 59.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -49.12 -55.71 11.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.577 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 64.8 t80 -51.56 -34.09 35.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.3 m -56.56 -51.68 67.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -38.43 -54.51 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.505 ' CB ' HD13 ' A' ' 27' ' ' ILE . 56.8 m-85 -72.11 -45.71 59.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.107 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.499 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 25.5 t0 -83.45 95.96 8.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' A' ' 23' ' ' GLY . 13.2 tttt -67.32 -60.81 2.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 1.5 p-10 -49.35 -22.78 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 57.92 16.19 23.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.551 1.157 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 48.3 p-10 -60.84 -27.55 68.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 0.746 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.441 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 121.87 9.05 7.07 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.1 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 3.0 p -137.98 152.7 49.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 0.794 . . . . 0.0 110.371 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.577 HG13 ' CZ ' ' A' ' 16' ' ' PHE . 81.7 mt -122.43 104.6 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.6 t -77.73 -152.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.521 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.2 p -81.64 -56.64 3.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.413 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 33' ' ' GLY . 14.4 tttt -52.89 -60.14 3.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -49.67 -23.12 1.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.852 HD23 ' CD2' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -88.34 -33.35 18.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' LYS . . . -87.58 -3.51 80.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.525 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -81.4 -68.22 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 110.417 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.525 ' N ' HG22 ' A' ' 34' ' ' THR . 2.2 t -42.81 -27.59 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.436 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.1 OUTLIER -64.63 -45.84 85.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' THR . 2.8 mtm180 -67.76 -16.27 64.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -98.23 15.38 24.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.132 . . . . 0.0 109.964 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.88 -46.45 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.19 42.45 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.436 ' NE2' ' SD ' ' A' ' 36' ' ' MET . 11.8 mt-30 -139.52 179.95 6.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.783 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.418 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 55.8 t-20 176.26 64.43 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.1 Cg_endo -75.01 127.18 10.47 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.5 1.789 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.4 p -48.22 157.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 110.377 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' HA ' HD12 ' A' ' 48' ' ' LEU . 2.9 mt-10 -54.7 -27.41 40.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.96 -44.06 70.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.48 -61.04 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.852 ' CD2' HD23 ' A' ' 32' ' ' LEU . 7.3 mt -42.41 -58.07 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -43.3 -45.8 6.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.306 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -36.2 83.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.7 mtt -74.55 -45.71 43.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.467 HG23 HG12 ' A' ' 63' ' ' ILE . 1.4 mt -54.5 -32.0 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -74.31 -18.51 60.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' MET . 6.5 mt-10 -85.8 -16.03 40.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.951 HG12 HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -124.53 36.28 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.42 ' HB2' HD13 ' A' ' 63' ' ' ILE . 58.9 t0 -170.06 123.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.52 11.9 38.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.479 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -111.56 -33.14 6.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 50.59 42.83 45.02 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.479 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 21.9 p-10 -71.96 -20.63 61.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 0.753 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.24 16.56 6.08 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.441 1.088 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.441 ' CG2' ' HB ' ' A' ' 26' ' ' THR . 0.4 OUTLIER -160.48 164.67 32.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 110.379 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.651 ' CD1' HG23 ' A' ' 55' ' ' VAL . 2.3 mm -112.32 139.96 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.651 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 1.6 m-20 -115.8 -174.17 2.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.722 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 17.0 t80 -68.25 -44.53 37.23 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.994 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.722 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.05 -7.18 18.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.782 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.598 ' O ' HG22 ' A' ' 70' ' ' THR . 1.2 mm-40 -103.42 -33.88 8.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.536 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -85.73 -34.14 21.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.656 HD22 HD11 ' A' ' 9' ' ' ILE . 8.9 mt -37.13 -47.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.951 HG23 HG12 ' A' ' 55' ' ' VAL . 9.9 t -50.36 -52.27 38.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.525 ' HG3' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -40.83 -47.77 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.536 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -67.33 -40.79 85.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.95 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.52 -45.39 87.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -117.96 66.0 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.455 0.169 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -167.5 172.13 9.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 3' ' ' GLN . 60.1 m-20 -85.73 178.15 7.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 2' ' ' ASP . 5.1 tt0 60.73 127.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.504 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.4 OUTLIER -53.88 176.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.504 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -154.66 -162.57 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 9' ' ' ILE . 48.1 mt-10 -41.95 -37.21 1.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 110.313 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -38.7 -38.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.409 ' HG2' HD13 ' A' ' 4' ' ' LEU . 9.4 mp0 -80.27 -42.64 22.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.682 HD11 HD22 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -61.92 -36.08 71.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.69 -39.32 5.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.51 -37.95 83.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.7 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 4.8 m-85 -68.78 -33.31 73.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 32.3 mttt -39.99 -63.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -45.24 -37.54 4.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -58.26 -53.59 56.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.453 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 66.2 t80 -61.17 -34.66 75.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.2 m -58.74 -50.51 73.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.476 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -38.19 -51.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.681 ' CB ' HD13 ' A' ' 27' ' ' ILE . 69.8 m-85 -75.52 -48.2 23.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.49 ' HB2' HG12 ' A' ' 27' ' ' ILE . 7.9 t0 -81.41 95.11 6.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.15 -51.58 13.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -50.61 -22.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.67 14.48 29.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.4 p-10 -63.08 -29.7 71.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 0.764 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.43 13.37 6.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.57 1.169 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 66.8 p -142.68 153.47 43.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 110.402 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.681 HD13 ' CB ' ' A' ' 19' ' ' PHE . 73.6 mt -123.05 106.34 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.678 ' O ' HD11 ' A' ' 52' ' ' ILE . 5.4 t -79.06 -142.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.544 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.0 p -93.46 -50.08 5.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -52.99 62.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -59.11 -21.52 59.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.684 HD23 ' CD2' ' A' ' 48' ' ' LEU . 2.6 tp -85.11 -32.12 22.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.62 -5.66 74.48 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 37' ' ' ARG . 1.4 m -77.83 -64.99 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 110.4 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 2.2 t -45.88 -26.78 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -42.91 73.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.432 ' CZ ' ' OD1' ' A' ' 42' ' ' ASN . 2.0 mtt-85 -54.56 -26.6 33.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -73.88 -20.01 60.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.41 22.6 14.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 63.09 26.86 69.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.453 1.095 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -110.57 177.97 4.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.744 . . . . 0.0 110.308 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.432 ' OD1' ' CZ ' ' A' ' 37' ' ' ARG . 14.4 t-20 175.86 73.63 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 144.66 30.45 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.0 p -62.6 156.83 22.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -54.4 -30.06 50.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.53 82.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.43 -59.85 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.684 ' CD2' HD23 ' A' ' 32' ' ' LEU . 7.6 mt -48.01 -59.02 3.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -41.35 -41.54 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.56 -41.59 83.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.4 mtt -66.89 -55.22 15.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.738 HG23 HG12 ' A' ' 63' ' ' ILE . 6.3 mt -45.15 -50.37 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -47.72 -43.01 26.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 51' ' ' MET . 19.3 mt-10 -52.53 -38.31 59.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.821 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -112.94 35.78 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -155.12 92.59 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.96 -12.19 42.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.465 ' OD2' ' CG ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -76.41 -40.22 51.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.0 32.6 25.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.465 ' CG ' ' OD2' ' A' ' 58' ' ' ASP . 33.1 p-10 -80.76 -17.99 49.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.87 -30.31 10.01 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.409 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 1.1 m -101.43 168.26 9.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 110.428 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.738 HG12 HG23 ' A' ' 52' ' ' ILE . 1.2 mm -114.82 139.52 40.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.608 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 36.5 m-20 -111.42 -172.14 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.678 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 7.6 t80 -75.16 -44.76 4.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.678 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.4 Cg_endo -75.03 -10.81 21.33 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.582 ' O ' HG22 ' A' ' 70' ' ' THR . 1.4 mm-40 -97.07 -28.32 14.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 110.329 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.514 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -93.11 -36.83 12.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.682 HD22 HD11 ' A' ' 9' ' ' ILE . 12.4 mt -38.66 -40.03 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.821 ' CG2' HG12 ' A' ' 55' ' ' VAL . 3.5 t -57.68 -51.61 68.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.379 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.453 ' N ' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -39.13 -51.09 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.6 mmt -62.34 -49.23 76.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.413 ' HB3' ' HD3' ' A' ' 74' ' ' ARG . . . -54.68 -43.84 72.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.413 ' HD3' ' HB3' ' A' ' 73' ' ' ALA . 0.8 OUTLIER -123.8 73.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.98 ' HG2' ' OXT' ' A' ' 75' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.632 ' O ' ' HB2' ' A' ' 1' ' ' ALA . 6.2 ptp . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.529 0.204 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 0' ' ' MET . . . 166.58 149.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -179.72 84.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 178.57 126.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.468 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.3 OUTLIER -82.05 176.81 9.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.468 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -151.69 -164.81 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.411 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 9' ' ' ILE . 38.3 mt-10 -46.27 -32.52 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 6' ' ' GLU . 1.5 mm-40 -38.46 -41.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -47.91 71.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.488 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -53.1 -51.79 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.488 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -38.94 -37.92 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.44 -49.53 54.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.659 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 22.0 m-85 -51.28 -29.94 16.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 12' ' ' PHE . 38.7 mttt -39.65 -63.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -47.75 -42.69 26.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -49.95 -57.03 8.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.152 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.691 ' CE1' HD12 ' A' ' 27' ' ' ILE . 71.9 t80 -53.63 -35.98 61.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 18' ' ' LEU . 2.5 t -57.64 -51.07 71.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -38.39 -51.42 1.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.433 ' CB ' HD13 ' A' ' 27' ' ' ILE . 60.6 m-85 -74.77 -43.9 52.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 30.6 t0 -83.44 95.49 8.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.409 ' C ' ' N ' ' A' ' 23' ' ' GLY . 1.8 tmtt? -65.67 -62.34 1.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -48.88 -23.61 1.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 57.93 17.06 27.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 35.7 p-10 -60.55 -29.09 68.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 124.02 4.7 7.76 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 31.0 p -136.37 146.93 47.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.691 HD12 ' CE1' ' A' ' 16' ' ' PHE . 83.2 mt -114.85 121.54 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.555 ' O ' HD11 ' A' ' 52' ' ' ILE . 8.6 t -96.26 -154.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.415 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.517 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.5 p -79.99 -56.55 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.434 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -54.37 -60.33 3.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.401 ' HG3' HG22 ' A' ' 28' ' ' THR . 53.1 mt-10 -43.29 -34.98 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.608 ' HB3' HD22 ' A' ' 48' ' ' LEU . 0.3 OUTLIER -75.5 -53.6 8.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -60.97 -13.28 33.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.551 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -70.14 -70.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.399 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.551 ' N ' HG22 ' A' ' 34' ' ' THR . 2.4 t -48.06 -24.19 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.408 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -70.95 -43.59 67.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.41 ' NE ' ' O ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -68.33 -22.38 64.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.319 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -103.25 42.87 1.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.04 -44.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.14 42.74 0.09 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.117 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -143.42 177.49 8.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.793 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.42 ' N ' ' HD3' ' A' ' 43' ' ' PRO . 7.5 t-20 176.46 64.37 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 42' ' ' ASN . 18.2 Cg_endo -75.03 120.36 6.03 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.477 1.777 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.5 p -41.21 157.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.363 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -55.59 -29.26 58.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.86 -47.21 66.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.73 -57.77 10.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.608 HD22 ' HB3' ' A' ' 32' ' ' LEU . 5.9 mt -46.46 -57.64 4.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -38.57 -45.42 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.236 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -44.86 78.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' LEU . 6.2 mtt -61.19 -39.77 91.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.863 HG23 ' CG1' ' A' ' 63' ' ' ILE . 4.0 mt -73.45 -29.21 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -86.13 10.62 13.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 51' ' ' MET . 1.5 mt-10 -98.44 -20.82 16.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.669 HG23 ' CD1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -117.31 -39.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.406 ' OD1' ' OD2' ' A' ' 58' ' ' ASP . 11.1 t0 -69.78 84.91 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.68 -11.39 59.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -80.56 -29.31 37.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.56 33.3 61.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 58' ' ' ASP . 47.3 p-10 -74.6 -23.32 58.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 109.23 -34.31 5.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.409 HG22 ' ND2' ' A' ' 60' ' ' ASN . 5.3 t -106.33 -173.78 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.41 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.863 ' CG1' HG23 ' A' ' 52' ' ' ILE . 1.1 mm -127.46 140.61 48.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.616 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 8.3 m-20 -108.64 -167.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.739 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 15.9 t80 -76.92 -44.44 2.92 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.2 Cg_endo -75.04 -14.5 21.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.515 ' O ' HG22 ' A' ' 70' ' ' THR . 2.1 mm-40 -91.67 -29.45 16.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.1 OUTLIER -89.85 -29.5 18.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 66' ' ' PRO . 10.3 mt -47.44 -36.41 9.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -68.9 -37.81 79.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -48.07 69.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.571 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 2.0 mmt -63.89 -47.46 80.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.4 -46.01 87.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 74' ' ' ARG . 0.1 OUTLIER -109.03 58.7 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.573 ' O ' ' HB2' ' A' ' 1' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.485 0.183 . . . . 0.0 110.975 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 0' ' ' MET . . . 171.86 161.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -171.38 126.05 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -172.69 127.38 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.477 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.3 OUTLIER -83.49 176.09 9.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.477 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.8 OUTLIER -153.07 -164.16 1.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.379 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 9' ' ' ILE . 26.9 mt-10 -43.54 -34.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' GLU . 2.1 mt-10 -37.74 -42.0 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -47.97 76.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.51 HD11 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -51.9 -46.94 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.418 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -41.67 -38.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -70.32 -45.12 66.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.631 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 30.3 m-85 -57.4 -32.87 67.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 10.6 mtmm -40.26 -57.15 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -52.28 -39.34 60.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -52.43 -52.97 51.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 67.5 t80 -51.48 -37.27 48.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.473 ' O ' ' C ' ' A' ' 18' ' ' LEU . 16.1 m -55.81 -52.73 62.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.037 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -34.98 -49.35 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.635 ' CB ' HD13 ' A' ' 27' ' ' ILE . 81.4 m-85 -78.76 -48.87 14.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' HG12 ' A' ' 27' ' ' ILE . 36.6 t0 -80.2 83.05 6.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -39.04 87.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -67.51 -22.29 65.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.478 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 56.86 16.33 17.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.5 p-10 -60.87 -37.1 80.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.44 -6.2 4.93 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 30.5 p -130.4 147.2 52.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 0.76 . . . . 0.0 110.415 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.635 HD13 ' CB ' ' A' ' 19' ' ' PHE . 91.3 mt -113.79 104.74 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.526 ' OG1' ' N ' ' A' ' 29' ' ' THR . 8.2 t -73.01 -153.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.381 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.526 ' N ' ' OG1' ' A' ' 28' ' ' THR . 1.8 p -84.16 -52.81 5.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 110.385 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' GLY . 26.4 tttt -54.28 -57.62 10.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -52.18 -21.44 3.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.612 ' HB3' HD22 ' A' ' 48' ' ' LEU . 1.5 tp -87.41 -28.93 21.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' LYS . . . -89.7 -2.61 75.47 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.528 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -82.57 -66.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 0.748 . . . . 0.0 110.375 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.528 ' N ' HG22 ' A' ' 34' ' ' THR . 2.2 t -44.15 -27.92 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.406 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -66.38 -44.38 83.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 111.011 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 34' ' ' THR . 0.6 OUTLIER -52.71 -24.23 8.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 m -73.34 -21.55 60.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.45 26.46 8.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.14 23.6 62.1 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.445 1.091 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -105.19 -177.11 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 0.808 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.5 t30 170.61 71.06 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 144.11 29.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.2 p -62.08 167.7 3.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -63.03 -22.47 66.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.93 -48.97 41.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -55.97 -56.59 18.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 32' ' ' LEU . 6.9 mt -48.63 -56.92 7.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -41.2 -38.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -42.59 58.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.499 ' O ' HG22 ' A' ' 55' ' ' VAL . 5.5 mtt -63.69 -42.63 97.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.707 HG23 HG12 ' A' ' 63' ' ' ILE . 4.0 mt -59.66 -61.3 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -40.95 -52.59 3.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -43.68 -46.89 7.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.721 HG12 HG23 ' A' ' 70' ' ' THR . 0.7 OUTLIER -104.63 34.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.51 91.46 1.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.38 -1.92 58.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -87.41 -27.22 22.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 47.8 40.02 18.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' A' ' 60' ' ' ASN . 30.4 p-10 -101.58 -7.08 23.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.607 ' C ' HG23 ' A' ' 62' ' ' THR . . . 106.22 142.15 10.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.607 HG23 ' C ' ' A' ' 61' ' ' GLY . 1.1 p 61.85 175.04 0.12 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 0.773 . . . . 0.0 110.438 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.707 HG12 HG23 ' A' ' 52' ' ' ILE . 1.2 mm -121.46 137.6 54.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.647 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.1 m-20 -99.86 -172.48 2.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.725 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 28.7 t80 -70.75 -44.46 16.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -74.96 -14.45 21.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.432 1.754 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.517 ' O ' ' CG2' ' A' ' 70' ' ' THR . 18.3 mt-10 -95.56 -22.89 17.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.086 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.526 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.3 OUTLIER -94.18 -32.22 13.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.946 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 66' ' ' PRO . 9.5 mt -45.32 -35.77 3.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.721 HG23 HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -62.02 -38.91 90.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 110.415 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -55.97 -58.12 9.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 111.018 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.526 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 1.1 mmt -50.15 -40.94 48.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 70' ' ' THR . . . -49.33 -54.42 17.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.9 mtm180 -110.28 71.18 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.547 0.213 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -171.59 82.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.89 -174.86 2.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 4' ' ' LEU . 2.2 tt0 -126.92 159.84 32.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.827 HD12 HG23 ' A' ' 5' ' ' THR . 1.7 pp -54.81 -168.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.827 HG23 HD12 ' A' ' 4' ' ' LEU . 4.8 p 51.07 153.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 68.97 -54.17 0.57 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.4 mm-40 -76.83 -47.44 21.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -48.1 -41.51 26.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 110.315 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.538 HG13 HD21 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -54.65 -50.46 59.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.47 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -40.19 -36.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -70.63 -47.89 57.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.583 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 19.5 m-85 -53.84 -33.07 55.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.565 ' HG2' ' CZ ' ' A' ' 65' ' ' PHE . 15.3 mtmt -40.41 -56.59 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -52.78 -40.78 63.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -52.98 -55.64 22.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.725 ' CE1' HD12 ' A' ' 27' ' ' ILE . 59.8 t80 -46.56 -34.1 4.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' LEU . 1.3 t -55.46 -53.83 51.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -38.3 -54.4 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -71.26 -48.33 51.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.513 ' HB2' ' CG1' ' A' ' 27' ' ' ILE . 25.2 t0 -82.4 96.07 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.424 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -67.29 -60.54 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -49.7 -21.43 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 54.73 18.61 11.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.456 1.097 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.9 p30 -63.44 -23.96 67.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.17 9.44 8.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 2.5 p -137.87 162.97 32.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.455 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.725 HD12 ' CE1' ' A' ' 16' ' ' PHE . 81.0 mt -131.23 116.52 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.573 ' OG1' ' N ' ' A' ' 29' ' ' THR . 5.3 t -92.98 -152.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.402 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.573 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.9 p -90.02 -39.13 13.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.413 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.24 -24.89 63.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.368 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.484 ' OE1' HG22 ' A' ' 28' ' ' THR . 44.9 mt-10 -91.31 -12.81 33.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.878 HD23 ' CD2' ' A' ' 48' ' ' LEU . 1.6 tp -94.08 -37.43 11.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.446 ' O ' ' NE ' ' A' ' 37' ' ' ARG . . . -83.62 -5.76 87.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.476 HG22 ' N ' ' A' ' 35' ' ' VAL . 0.9 OUTLIER -76.83 -65.25 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.408 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.476 ' N ' HG22 ' A' ' 34' ' ' THR . 2.2 t -45.57 -26.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.405 ' N ' ' C ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -71.33 -41.82 69.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.446 ' NE ' ' O ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -68.27 -42.05 80.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 72.8 m -52.13 -25.16 8.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.959 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.0 -85.82 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.05 31.64 0.12 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -124.82 179.17 5.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 0.752 . . . . 0.0 110.281 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 177.98 71.73 0.11 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 134.35 17.66 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.6 p -53.32 157.97 1.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.18 -24.84 57.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.29 -44.13 72.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.88 -62.27 2.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.878 ' CD2' HD23 ' A' ' 32' ' ' LEU . 6.7 mt -42.95 -58.46 2.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -41.39 -43.86 2.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -40.31 82.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.497 ' O ' HG22 ' A' ' 55' ' ' VAL . 4.8 mtt -68.33 -48.85 63.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.413 HG23 HG12 ' A' ' 63' ' ' ILE . 1.1 mt -52.42 -51.17 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -48.55 -51.81 25.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -48.57 -38.2 19.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.045 HG12 HG23 ' A' ' 70' ' ' THR . 1.2 m -107.83 38.02 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -163.53 111.17 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.57 -10.1 18.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -84.5 -20.04 32.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.436 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 40.11 43.33 2.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -83.99 -19.08 35.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 0.767 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.12 42.16 2.12 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 179.27 153.34 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 0.73 . . . . 0.0 110.388 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 27' ' ' ILE . 2.7 mm -106.51 137.04 38.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.66 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 4.1 m-20 -115.0 -171.43 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.688 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 9.3 t80 -69.81 -43.82 21.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.688 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.02 -10.04 21.0 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.5 1.79 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.675 ' O ' HG22 ' A' ' 70' ' ' THR . 1.4 mm-40 -100.28 -25.69 14.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.576 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -93.4 -29.14 15.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.538 HD21 HG13 ' A' ' 9' ' ' ILE . 13.0 mt -48.78 -25.49 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 1.045 HG23 HG12 ' A' ' 55' ' ' VAL . 1.3 t -75.5 -35.67 60.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.382 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -53.89 -57.69 10.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 0.7 OUTLIER -64.89 -28.92 69.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.76 -42.26 82.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -88.12 38.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.529 ' O ' ' HB2' ' A' ' 1' ' ' ALA . 1.5 ttt . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.488 0.185 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 0' ' ' MET . . . 173.62 169.51 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -66.18 171.73 4.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.333 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 63.92 137.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.577 HD13 ' HG3' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -52.77 -177.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.486 ' CG2' ' C ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -153.45 -161.82 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.429 ' O ' HG22 ' A' ' 9' ' ' ILE . 47.1 mt-10 -44.1 -39.23 4.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -38.26 -38.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 110.275 -179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.577 ' HG3' HD13 ' A' ' 4' ' ' LEU . 72.9 mm-40 -79.23 -45.72 19.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.593 HD11 HD22 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -58.77 -39.44 76.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 13' ' ' LYS . . . -41.83 -39.5 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -68.11 -41.92 81.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.701 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 8.1 m-85 -63.74 -31.9 73.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 9.8 mttp -40.48 -61.95 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -46.18 -37.53 7.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.701 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -56.81 -54.1 50.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.576 ' CZ ' HG13 ' A' ' 27' ' ' ILE . 53.5 t80 -59.39 -32.68 70.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' LEU . 0.7 OUTLIER -60.68 -50.53 73.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.042 179.95 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -39.28 -59.75 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.61 ' CB ' HD13 ' A' ' 27' ' ' ILE . 34.2 m-85 -65.01 -46.69 80.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -74.74 82.08 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.6 17.76 5.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.443 ' OD1' ' CG ' ' A' ' 24' ' ' ASP . 1.6 p30 -113.62 -19.36 11.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.08 81.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 33.1 p-10 -146.4 -42.42 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.755 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 135.38 -4.66 4.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 30.7 p -128.25 159.14 36.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 0.765 . . . . 0.0 110.41 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.61 HD13 ' CB ' ' A' ' 19' ' ' PHE . 85.3 mt -124.53 96.52 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.666 HG22 ' HG3' ' A' ' 31' ' ' GLU . 7.3 t -68.01 -152.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.54 ' N ' ' OG1' ' A' ' 28' ' ' THR . 2.0 p -90.34 -52.97 4.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -54.77 -26.54 35.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.666 ' HG3' HG22 ' A' ' 28' ' ' THR . 1.3 mm-40 -87.41 -18.64 29.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.736 HD22 HG13 ' A' ' 52' ' ' ILE . 5.1 tp -87.92 -29.65 20.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.75 -3.33 64.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -79.68 -60.88 2.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 0.0 110.387 -179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 19' ' ' PHE . 1.9 t -46.73 -32.3 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.175 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -65.74 -37.88 87.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 111.025 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.458 ' CZ ' ' HB3' ' A' ' 42' ' ' ASN . 6.3 mmt180 -41.43 -36.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.91 -49.56 75.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.997 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' MET . 1.0 OUTLIER -69.71 -20.53 63.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.35 16.06 63.12 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.469 ' O ' ' C ' ' A' ' 42' ' ' ASN . 5.1 mt-30 -72.53 -37.66 68.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.747 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.469 ' C ' ' O ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER 34.64 71.81 0.76 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.535 ' HG2' HD21 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -74.98 158.3 42.35 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.476 1.777 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.9 p -82.34 155.17 24.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.04 -21.62 46.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.19 -45.63 39.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.35 -60.68 3.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.62 HD22 ' HB3' ' A' ' 32' ' ' LEU . 8.8 mt -42.71 -59.49 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -41.35 -47.66 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.288 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -39.79 95.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.481 ' N ' ' O ' ' A' ' 48' ' ' LEU . 5.0 mtt -69.67 -55.79 9.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.736 HG13 HD22 ' A' ' 32' ' ' LEU . 1.2 mt -45.48 -45.7 4.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -51.72 -34.9 40.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 51' ' ' MET . 15.2 mt-10 -63.04 -34.75 78.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.803 HG12 ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -112.99 32.55 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 0.4 OUTLIER -156.59 100.93 1.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.55 -9.15 30.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -79.68 -35.8 38.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.74 32.85 44.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.586 ' ND2' HG22 ' A' ' 62' ' ' THR . 52.7 p-10 -76.59 -19.72 57.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 0.802 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.492 ' N ' ' OD1' ' A' ' 60' ' ' ASN . . . 103.67 -29.57 11.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.586 HG22 ' ND2' ' A' ' 60' ' ' ASN . 10.9 t -107.57 -179.26 3.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 110.419 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.699 ' CD1' HG23 ' A' ' 55' ' ' VAL . 1.1 mm -122.83 141.42 43.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.611 ' CB ' ' HD2' ' A' ' 66' ' ' PRO . 3.5 m-20 -110.15 -170.99 1.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.689 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 9.5 t80 -75.04 -44.8 4.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.689 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 18.3 Cg_endo -75.04 -11.46 21.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.467 1.772 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.611 ' O ' HG22 ' A' ' 70' ' ' THR . 1.0 OUTLIER -96.96 -28.16 14.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.505 ' CE1' ' HG3' ' A' ' 72' ' ' MET . 0.2 OUTLIER -91.94 -37.9 12.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.593 HD22 HD11 ' A' ' 9' ' ' ILE . 13.4 mt -38.3 -41.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.803 ' CG2' HG12 ' A' ' 55' ' ' VAL . 2.5 t -55.75 -51.92 65.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.381 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -40.69 -51.64 3.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.944 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.505 ' HG3' ' CE1' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -61.95 -43.7 98.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.4 -44.57 80.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 75' ' ' LYS . 0.2 OUTLIER -111.36 63.31 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.935 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_