data_1xn7_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 1xn7 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.471 ' O ' ' CG1' ' A' ' 7' ' ' VAL . 2.7 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 mm -51.85 -28.78 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -63.57 -53.28 54.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.348 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 4' ' ' LEU . 6.0 p -65.69 -37.02 78.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -68.57 -47.43 66.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -62.08 -51.33 68.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' ARG . 3.6 mm? -58.37 -42.01 86.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.456 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 11.0 mt -58.89 -30.32 67.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.98 -51.96 5.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.3 mt -58.66 -59.91 4.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' LEU . 9.5 mmm-85 -82.02 3.45 26.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.456 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 57.99 -142.19 44.44 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.21 127.34 32.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.245 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 43.1 tpp -166.97 152.24 7.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.57 ' HB3' ' CD1' ' A' ' 74' ' ' TRP . 1.2 pt-20 -65.34 160.96 20.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.469 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . . . -68.15 -39.17 82.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.64 -38.16 2.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -52.03 14.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.467 HG21 ' CG2' ' A' ' 7' ' ' VAL . 5.7 mt -56.39 -49.49 76.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 28' ' ' THR . 50.4 p -53.38 -41.54 66.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.053 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -45.09 94.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.9 m -48.27 -46.15 35.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.406 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.444 ' C ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -100.37 21.68 12.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' LEU . 7.7 t-20 39.12 30.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -83.4 163.36 50.31 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.376 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.415 ' N ' HG23 ' A' ' 28' ' ' THR . 18.4 Cg_endo -74.99 137.2 21.44 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.536 1.808 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.495 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -45.97 -51.92 28.93 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.342 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.01 53.42 3.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.559 1.82 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.59 -48.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.6 mm -74.91 -38.38 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -55.2 -42.72 73.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.7 -46.82 86.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -46.51 84.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 20.8 mt -54.21 -39.72 66.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -45.24 94.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.337 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -60.85 -52.38 65.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.3 mt -56.62 -45.21 81.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.13 -50.03 72.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -54.01 -48.02 70.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mtt -62.54 -51.94 65.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.58 46.38 0.62 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -102.46 -59.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.03 173.95 7.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.7 m -131.96 156.14 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.02 137.71 32.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 74' ' ' TRP . 21.6 mm -116.47 149.91 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -115.54 149.95 37.35 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.463 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.74 131.06 47.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.57 ' CD1' ' HB3' ' A' ' 18' ' ' GLU . 30.9 m0 -99.83 171.3 7.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 107.991 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.422 ' CD1' HD13 ' A' ' 37' ' ' LEU . 96.9 m95 -126.52 149.93 49.08 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.15 178.99 9.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -93.65 162.23 14.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.6 mm -47.64 -39.02 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -58.28 -51.31 70.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.231 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.481 HG23 ' CG2' ' A' ' 22' ' ' ILE . 60.7 t -68.15 -48.06 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.17 . . . . 0.0 109.363 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -54.4 -44.94 72.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -65.16 -51.15 62.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.451 ' HG ' ' CG2' ' A' ' 25' ' ' THR . 4.2 mm? -57.01 -43.36 81.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.444 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 7.7 mt -56.53 -31.99 64.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.465 ' HB3' ' CD1' ' A' ' 77' ' ' LEU . . . -86.28 -55.7 3.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.4 mt -53.75 -59.51 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' LEU . 11.0 mmm180 -82.35 3.56 27.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.363 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.444 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 55.15 -141.76 36.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.431 1.082 . . . . 0.0 110.982 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' O ' ' SD ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -69.52 120.47 15.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 0.77 . . . . 0.0 110.339 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 16' ' ' ARG . 82.6 mmm -152.53 175.51 12.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -91.98 161.81 14.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.67 90.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.98 -40.3 4.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -51.93 15.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.481 ' CG2' HG23 ' A' ' 7' ' ' VAL . 19.9 mt -54.26 -43.35 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 28' ' ' THR . 13.7 p -59.84 -43.66 94.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.968 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -44.39 97.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.451 ' CG2' ' HG ' ' A' ' 10' ' ' LEU . 3.7 m -47.26 -45.44 23.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -107.57 23.18 14.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' LEU . 57.1 t30 37.85 32.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -80.02 162.98 60.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.365 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.418 ' N ' HG21 ' A' ' 28' ' ' THR . 18.5 Cg_endo -74.98 134.4 17.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.453 1.765 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.485 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -41.73 -52.26 8.74 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.01 52.25 3.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.3 tpt -142.65 -45.2 0.31 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 111.068 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.2 mm -76.84 -31.29 19.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -61.36 -43.87 98.13 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.7 -45.16 95.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -52.4 61.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.458 HD22 ' CB ' ' A' ' 75' ' ' TRP . 25.6 mt -53.85 -38.53 64.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.95 -35.93 73.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.45 -49.77 51.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.248 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.3 mt -59.37 -41.24 88.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.06 -52.09 64.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.2 t -53.99 -51.16 64.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.1 mtp -62.5 -48.41 79.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.069 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.76 45.73 0.95 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -100.23 -53.59 3.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 76' ' ' ALA . . . -96.14 170.96 8.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.06 152.21 36.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -85.19 139.17 31.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' TRP . 3.6 mp -119.77 146.17 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.404 ' N ' HG21 ' A' ' 49' ' ' ILE . 28.4 tt0 -103.68 150.41 24.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.489 ' HG3' ' CE2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.67 139.68 58.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.489 ' CE2' ' HG3' ' A' ' 51' ' ' GLU . 38.0 m0 -93.03 169.2 10.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 108.041 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.458 ' CB ' HD22 ' A' ' 37' ' ' LEU . 95.6 m95 -123.56 148.7 46.09 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' A' ' 46' ' ' ALA . . . -156.03 179.25 9.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 12' ' ' ALA . 5.8 mt -96.76 152.8 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.4 mt -55.56 -43.63 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -57.79 -53.07 62.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.601 ' CG2' ' CG2' ' A' ' 22' ' ' ILE . 46.4 t -65.59 -47.81 84.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -53.39 -45.26 69.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.69 -51.11 64.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 14' ' ' ARG . 1.2 mm? -57.6 -51.1 70.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.432 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 9.2 mt -54.75 -26.37 33.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.2 -59.14 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -55.34 -59.7 4.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.495 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 5.0 mpt_? -74.51 -11.61 60.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.367 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.432 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 69.15 -146.1 43.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.444 1.09 . . . . 0.0 110.943 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.82 125.7 25.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.754 . . . . 0.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.3 mmt -158.19 175.19 14.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -91.28 161.7 14.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.381 1.05 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.18 -41.15 90.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.89 -39.32 3.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -45.52 26.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.605 1.191 . . . . 0.0 110.278 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.601 ' CG2' ' CG2' ' A' ' 7' ' ' VAL . 38.1 mt -57.44 -50.12 78.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' THR . 68.1 p -58.63 -38.74 78.7 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.7 -44.81 93.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 m -50.73 -45.11 58.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.45 ' C ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -105.55 20.7 18.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 23' ' ' SER . 1.6 t-20 38.84 31.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.45 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -79.73 163.14 59.99 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.413 ' N ' HG21 ' A' ' 28' ' ' THR . 18.4 Cg_endo -74.94 136.95 21.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.954 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.478 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -43.13 -53.28 10.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -75.03 53.18 3.27 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.779 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.55 -46.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 mm -75.8 -34.51 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -57.44 -42.06 81.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.52 -46.43 83.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -49.95 72.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.559 HD13 ' CD1' ' A' ' 75' ' ' TRP . 28.8 mt -55.1 -40.65 70.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -45.57 92.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.238 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -61.22 -50.25 73.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.6 mt -58.46 -38.93 78.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.36 -52.71 64.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.8 t -55.69 -46.04 77.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.952 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.5 mtt -66.95 -49.38 65.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.31 47.68 0.85 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -100.32 -59.8 1.64 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.535 0.785 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.11 179.35 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.3 m -135.72 157.72 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.94 138.99 30.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 17.3 mm -117.82 151.71 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -111.92 153.62 26.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.287 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.43 139.49 58.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -104.0 172.04 7.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.559 ' CD1' HD13 ' A' ' 37' ' ' LEU . 96.5 m95 -123.76 148.8 46.31 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.97 174.13 15.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.601 1.188 . . . . 0.0 109.342 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.8 mt -87.23 157.58 19.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.8 mm -62.9 -26.99 42.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.18 -54.67 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.47 ' CG2' HG22 ' A' ' 22' ' ' ILE . 7.4 p -62.65 -34.94 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -67.94 -41.63 82.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -73.63 -46.13 48.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 14' ' ' ARG . 2.6 mm? -57.44 -49.98 74.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.43 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 12.3 mt -55.95 -26.4 47.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.437 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -85.92 -59.19 2.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.64 -59.81 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.261 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.514 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 5.4 mpt_? -73.93 -12.19 60.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 69.76 -146.77 44.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -65.81 120.45 13.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 12.4 mmt -153.82 175.23 13.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' OE1' ' CB ' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -92.1 163.86 13.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.57 -38.2 83.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.416 ' CB ' ' OE1' ' A' ' 18' ' ' GLU . . . -48.69 -38.05 20.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -52.17 13.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.47 HG22 ' CG2' ' A' ' 7' ' ' VAL . 19.9 mt -56.4 -51.44 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 28' ' ' THR . 93.3 p -53.49 -41.22 66.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -44.64 96.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.069 . . . . 0.0 110.3 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.2 m -45.6 -39.58 7.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.357 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -112.34 25.07 11.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LEU . 1.2 t30 37.75 32.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.265 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -83.31 163.11 51.67 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.441 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.433 ' N ' HG22 ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.0 136.01 19.84 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.442 1.759 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -44.63 -51.89 19.74 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.4 Cg_endo -74.92 53.29 3.26 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.526 1.803 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.87 -46.18 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.1 mm -76.5 -38.27 31.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -53.64 -40.0 65.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.86 -46.52 87.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.39 -49.0 70.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.527 HD11 ' CD1' ' A' ' 75' ' ' TRP . 20.6 mt -55.86 -38.35 69.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -45.68 88.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -59.03 -49.15 78.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 110.293 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.9 mt -56.63 -43.63 80.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.68 -53.83 53.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 t -53.99 -48.47 70.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.938 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.7 mtt -65.34 -45.67 83.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.39 44.53 1.45 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -100.63 -54.92 2.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.777 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.18 172.77 8.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 109.23 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.1 m -126.61 154.14 36.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -87.57 139.04 30.94 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.466 ' CG1' ' HB1' ' A' ' 76' ' ' ALA . 23.2 mm -118.33 151.78 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -113.8 152.88 30.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.148 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -60.06 139.86 57.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 110.341 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -103.13 170.76 7.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 107.988 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.527 ' CD1' HD11 ' A' ' 37' ' ' LEU . 95.6 m95 -120.85 151.76 39.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 107.99 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.466 ' HB1' ' CG1' ' A' ' 49' ' ' ILE . . . -155.8 175.05 14.44 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.437 HD11 ' CB ' ' A' ' 12' ' ' ALA . 31.8 mt -92.55 157.97 16.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.82 -33.0 59.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -62.63 -53.4 55.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.467 HG22 ' CG2' ' A' ' 22' ' ' ILE . 5.2 p -67.38 -38.37 80.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -64.15 -38.25 90.37 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -75.31 -41.95 55.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.594 1.184 . . . . 0.0 109.247 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.22 -51.48 66.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.599 1.187 . . . . 0.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.449 ' CD2' HD12 ' A' ' 22' ' ' ILE . 9.1 mt -57.44 -24.45 55.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.407 ' N ' HD13 ' A' ' 77' ' ' LEU . . . -86.43 -59.24 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.244 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.41 -59.92 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.54 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.5 OUTLIER -73.13 -11.45 60.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.88 -149.02 51.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 -61.12 126.01 25.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 0.786 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.444 ' CE ' ' HG3' ' A' ' 21' ' ' GLN . 9.8 tpt -173.76 151.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 17' ' ' MET . 0.7 OUTLIER -59.78 156.36 14.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.403 ' HB3' ' CD1' ' A' ' 37' ' ' LEU . . . -67.67 -38.4 83.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.29 -37.66 3.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' HG3' ' CE ' ' A' ' 17' ' ' MET . 0.1 OUTLIER -72.99 -52.52 14.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CG2' HG22 ' A' ' 7' ' ' VAL . 4.4 mt -57.06 -47.36 83.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' THR . 95.9 p -56.18 -39.49 72.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.142 . . . . 0.0 109.977 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.14 -44.94 90.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.7 m -45.03 -47.26 11.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.388 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.451 ' C ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -99.55 23.67 9.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.387 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' LEU . 5.6 t-20 39.1 30.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.451 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -83.91 162.88 51.0 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.426 ' N ' HG21 ' A' ' 28' ' ' THR . 18.4 Cg_endo -75.06 137.89 22.18 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.471 1.774 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -46.83 -51.88 35.92 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 110.339 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.6 Cg_endo -74.96 52.96 3.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.801 . . . . 0.0 111.088 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.77 -45.07 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.9 mm -78.24 -37.83 22.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.167 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -56.16 -39.81 72.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.71 -46.67 88.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.83 -47.73 79.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 111.026 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.492 HD11 ' CG ' ' A' ' 75' ' ' TRP . 21.1 mt -55.37 -41.57 72.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -45.63 93.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.6 1.187 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -60.95 -50.13 74.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.7 mt -58.59 -42.21 87.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.96 -50.89 71.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.234 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -53.95 -46.44 71.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.982 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 mtt -64.37 -54.53 31.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.5 40.63 0.49 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -101.57 -64.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.18 173.6 7.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.2 m -136.11 157.42 37.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.58 139.45 30.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' TRP . 49.7 mm -120.2 152.4 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.389 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.07 161.04 18.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.573 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 2.1 mt-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.334 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -61.45 136.75 58.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.573 ' CZ2' ' CD ' ' A' ' 51' ' ' GLU . 18.5 m0 -95.6 170.06 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 108.07 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.492 ' CG ' HD11 ' A' ' 37' ' ' LEU . 96.2 m95 -124.13 149.52 46.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 108.067 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.26 168.54 26.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.407 HD13 ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -100.51 160.79 14.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.162 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.404 ' O ' HG11 ' A' ' 7' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.1 mm -70.31 -27.35 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.441 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -75.82 -53.92 7.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.404 HG11 ' O ' ' A' ' 4' ' ' LEU . 6.1 p -62.85 -34.71 67.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 8' ' ' ARG . 6.1 mtp-105 -66.7 -53.69 30.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -55.84 -47.13 77.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 14' ' ' ARG . 1.4 mm? -61.92 -51.02 69.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.462 ' CD2' HD12 ' A' ' 22' ' ' ILE . 13.1 mt -56.4 -24.99 48.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.349 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.91 -59.65 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -58.32 -60.21 4.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.544 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -75.01 -6.65 50.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.439 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 68.24 -150.71 51.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.413 1.071 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.438 ' CB ' ' HB2' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -64.49 139.27 58.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.778 . . . . 0.0 110.335 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 tpt -177.33 148.7 0.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.92 147.93 50.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 110.345 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.47 ' HB1' ' CD1' ' A' ' 37' ' ' LEU . . . -59.11 -40.76 86.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.61 -36.89 2.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -51.31 11.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 110.251 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.462 HD12 ' CD2' ' A' ' 11' ' ' LEU . 5.6 mt -54.57 -51.04 54.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.8 p -50.18 -42.31 51.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.394 1.058 . . . . 0.0 110.029 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.36 -45.55 87.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.226 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.2 m -60.66 -43.76 97.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.473 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 6' ' ' GLN . 9.3 mt -83.17 6.81 18.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 48.63 51.35 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -124.84 164.22 32.49 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.435 ' N ' HG23 ' A' ' 28' ' ' THR . 18.4 Cg_endo -74.95 133.64 16.91 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 111.041 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.3 OUTLIER -41.59 -51.52 8.95 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.351 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -75.01 53.91 3.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.782 . . . . 0.0 111.008 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.64 -46.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.5 mm -75.23 -36.2 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -52.48 -38.07 58.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.73 -47.0 80.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -52.36 63.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.47 ' CD1' ' HB1' ' A' ' 19' ' ' ALA . 13.6 mt -53.7 -41.03 66.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -42.0 97.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 110.248 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -66.57 -50.79 61.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.0 mt -56.99 -46.13 82.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -50.66 71.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.248 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.8 t -54.37 -45.79 72.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 110.015 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 mtp -69.96 -45.92 66.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.7 46.78 1.17 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.2 -43.9 5.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.88 172.0 7.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.0 m -127.4 158.1 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.22 139.12 30.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.17 . . . . 0.0 110.272 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.446 ' CG1' ' HB3' ' A' ' 76' ' ' ALA . 5.0 mm -118.82 147.24 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -110.97 150.68 28.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.263 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.18 . . . . 0.0 110.321 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -59.98 135.53 57.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' ILE . 28.2 m0 -100.26 172.13 7.36 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -124.97 147.72 48.77 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.446 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . . . -153.59 178.54 9.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 mt -97.91 158.5 15.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.365 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 mm -56.8 -41.56 75.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -53.31 59.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.47 ' CG1' HG22 ' A' ' 22' ' ' ILE . 76.6 t -66.25 -48.25 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -52.37 -40.06 61.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -75.1 -47.13 30.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.601 1.188 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' ARG . 1.4 mm? -57.68 -50.95 71.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.434 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 10.3 mt -55.0 -25.97 33.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.432 ' CA ' HD13 ' A' ' 77' ' ' LEU . . . -86.26 -59.12 2.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.57 -59.81 4.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.445 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 4.8 mpt_? -73.99 -12.2 60.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.26 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.434 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 71.49 -142.72 34.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.96 122.07 24.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.7 mmt -153.51 175.13 13.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.527 ' HB3' ' CD1' ' A' ' 74' ' ' TRP . 4.0 pm0 -83.27 161.23 21.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.88 -40.43 83.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.55 -38.43 6.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.363 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -50.17 19.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.47 HG22 ' CG1' ' A' ' 7' ' ' VAL . 17.0 mt -53.04 -51.43 38.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 28' ' ' THR . 51.9 p -55.3 -42.01 73.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -58.95 -44.97 91.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.0 m -44.87 -47.69 11.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.465 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -106.01 25.43 10.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LEU . 1.2 t30 37.12 34.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -85.4 162.78 47.35 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.44 20.3 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.58 1.832 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -43.17 -52.59 12.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -74.99 53.56 3.37 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.394 1.734 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -143.06 -44.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.7 mm -77.88 -35.4 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -57.02 -38.57 73.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.98 98.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.2 mtp -73.46 -41.47 63.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.5 mt -61.07 -33.65 73.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.215 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.61 -45.14 69.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.113 . . . . 0.0 110.248 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -61.38 -46.82 88.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mt -59.07 -43.96 91.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -57.39 -51.73 68.25 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.148 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -54.05 -50.12 67.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.979 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 mtt -62.64 -52.83 61.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.45 45.0 0.53 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -100.62 -66.25 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 109.348 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.91 175.69 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.6 m -135.3 155.79 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.18 134.08 33.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' TRP . 24.2 mm -110.65 151.21 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -114.59 152.36 31.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.452 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 2.0 mt-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.359 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -61.57 133.51 55.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.527 ' CD1' ' HB3' ' A' ' 18' ' ' GLU . 19.6 m0 -98.51 170.96 8.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 108.016 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -124.6 146.86 48.83 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.96 175.53 13.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.432 HD13 ' CA ' ' A' ' 12' ' ' ALA . 17.3 mt -92.9 156.29 17.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.5 tpt85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 8' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.3 mp -57.51 -30.55 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -63.55 -53.56 49.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.069 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.463 ' CG2' HG23 ' A' ' 22' ' ' ILE . 6.1 p -68.12 -38.06 79.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 4' ' ' LEU . 18.6 mtt85 -61.41 -39.73 91.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -75.03 -48.02 26.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 14' ' ' ARG . 4.1 mm? -57.32 -46.0 83.68 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.471 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 8.2 mt -54.38 -31.32 54.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.458 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -86.55 -56.27 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.3 mt -53.69 -59.63 4.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 10' ' ' LEU . 11.2 mmm180 -82.46 2.98 30.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.471 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 57.9 -147.46 37.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.09 122.05 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.743 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 23.6 mmt -154.31 175.36 13.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 7.2 tp10 -86.43 153.63 21.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.404 ' N ' ' HG3' ' A' ' 18' ' ' GLU . . . -63.45 -47.41 81.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.75 -38.06 3.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -71.74 -51.77 21.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.463 HG23 ' CG2' ' A' ' 7' ' ' VAL . 11.7 mt -58.93 -43.37 88.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 28' ' ' THR . 80.0 p -57.95 -40.96 81.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -44.9 88.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.325 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.3 m -45.99 -45.52 15.82 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.501 1.126 . . . . 0.0 110.483 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.447 ' CD2' ' O ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -100.38 23.19 10.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' LEU . 1.8 m-20 39.66 29.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -85.04 162.54 49.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.408 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 137.83 22.43 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.393 1.733 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.517 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -48.94 -50.49 61.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.328 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.5 Cg_endo -74.95 52.4 3.03 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 111.056 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.0 tpt -145.33 -44.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.9 mm -79.27 -35.55 17.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -59.13 -43.5 91.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.72 -46.83 86.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -49.68 75.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.561 HD12 ' CD1' ' A' ' 75' ' ' TRP . 20.3 mt -54.09 -43.85 70.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.235 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -45.5 87.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.125 . . . . 0.0 110.245 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -60.67 -48.69 80.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.3 mt -57.81 -45.35 86.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.596 1.185 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -54.22 -50.16 67.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.8 t -54.05 -48.67 70.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.01 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 mtm -64.84 -49.51 70.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 113.35 48.61 0.59 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -100.95 -69.16 0.78 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 0.739 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.99 178.51 6.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.6 m -135.64 157.1 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.435 ' HD3' ' CZ2' ' A' ' 75' ' ' TRP . 0.1 OUTLIER -86.99 139.41 30.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 74' ' ' TRP . 3.7 mm -117.51 151.78 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -113.38 151.55 31.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.403 1.065 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 110.301 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.86 135.93 37.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.174 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' ILE . 19.4 m0 -100.92 172.02 7.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.999 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.561 ' CD1' HD12 ' A' ' 37' ' ' LEU . 95.4 m95 -125.78 147.92 49.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 108.014 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.98 166.73 32.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.458 HD11 ' CB ' ' A' ' 12' ' ' ALA . 33.7 mt -82.57 156.42 23.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.3 tpt85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.402 HD11 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.2 mm -60.8 -35.12 62.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.36 -54.71 36.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.462 HG21 ' CG2' ' A' ' 22' ' ' ILE . 7.3 p -65.42 -36.93 78.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -67.92 -48.39 66.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.4 ' OD1' ' CD2' ' A' ' 13' ' ' LEU . 17.7 t0 -59.12 -50.38 74.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 14' ' ' ARG . 1.4 mm? -58.95 -51.05 71.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.46 ' CD2' HD13 ' A' ' 22' ' ' ILE . 11.8 mt -55.77 -25.36 40.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.464 ' CB ' HD12 ' A' ' 77' ' ' LEU . . . -86.92 -59.68 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.4 ' CD2' ' OD1' ' A' ' 9' ' ' ASP . 7.1 mp -57.73 -60.27 3.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.545 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -74.38 -7.75 53.94 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 67.28 -141.68 39.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.424 ' CB ' ' HB2' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -69.03 137.48 53.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 110.319 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 45.1 tpp -176.04 160.39 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -77.05 165.09 25.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.42 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . . . -68.18 -37.5 81.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.64 -37.86 2.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -52.17 9.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.462 ' CG2' HG21 ' A' ' 7' ' ' VAL . 8.6 mt -54.22 -50.9 52.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' THR . 59.5 p -55.27 -41.56 72.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -45.42 90.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.7 m -50.02 -45.42 51.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 110.424 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.434 ' C ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -103.32 20.81 17.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' LEU . 2.1 t30 38.84 32.23 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.434 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -83.49 163.19 50.84 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.361 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.426 ' N ' HG21 ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.98 137.67 22.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 111.038 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -45.34 -52.22 22.75 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -75.05 52.7 3.14 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.575 1.829 . . . . 0.0 111.059 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.8 tpt -142.77 -47.97 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.041 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.8 mm -74.41 -37.56 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.241 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -53.15 -41.61 65.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.15 -47.12 86.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.98 -49.97 72.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.0 mt -54.38 -40.37 68.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -42.49 96.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -60.73 -50.55 73.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 mt -60.01 -39.03 84.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.366 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.52 -50.76 68.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.235 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 t -53.81 -45.84 70.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.005 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.3 mtp -70.9 -47.55 58.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.963 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.46 47.09 0.88 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 0.0 111.058 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -102.07 -43.35 5.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.589 0.817 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.37 176.74 5.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.4 m -133.37 153.23 36.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -83.48 139.05 33.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 74' ' ' TRP . 3.6 mm -119.52 151.33 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -115.11 152.83 31.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -73.56 134.52 43.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' ILE . 17.5 m0 -99.77 172.02 7.52 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -123.71 148.82 46.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.424 ' HB2' ' CB ' ' A' ' 16' ' ' ARG . . . -152.74 174.09 14.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.464 HD12 ' CB ' ' A' ' 12' ' ' ALA . 16.0 mt -90.05 158.76 17.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.404 ' N ' HD13 ' A' ' 5' ' ' ILE . 5.8 mm -53.82 -41.44 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.417 ' NE2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -58.29 -49.9 75.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.462 ' CG1' HG21 ' A' ' 22' ' ' ILE . 78.0 t -68.92 -46.06 79.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -58.17 -51.15 70.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -56.56 -51.28 69.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.386 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 14' ' ' ARG . 1.3 mm? -60.04 -51.44 69.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.442 ' CD2' HD11 ' A' ' 22' ' ' ILE . 9.8 mt -55.24 -25.02 30.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.372 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.467 ' HB3' ' CD1' ' A' ' 77' ' ' LEU . . . -87.12 -59.25 2.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.373 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.19 -60.4 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.233 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.506 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 4.5 mpt_? -72.66 -8.75 56.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.42 -139.47 45.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.569 1.168 . . . . 0.0 111.053 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.08 121.39 15.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.757 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -161.18 147.7 14.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 4.0 tp10 -63.38 153.73 34.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.605 1.191 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.419 ' N ' ' HG3' ' A' ' 18' ' ' GLU . . . -63.73 -42.92 97.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.98 -39.32 4.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -51.39 12.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.462 HG21 ' CG1' ' A' ' 7' ' ' VAL . 3.3 mt -55.06 -53.72 31.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 p -54.17 -44.64 71.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -44.99 73.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.8 m -44.73 -37.37 3.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.449 ' C ' ' N ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -113.79 35.19 4.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 26' ' ' LEU . 13.1 t-20 39.71 30.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.449 ' N ' ' C ' ' A' ' 26' ' ' LEU . 22.5 m -83.16 145.38 48.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.04 136.33 20.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.472 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -39.71 -53.11 4.67 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 17.9 Cg_endo -75.0 53.76 3.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.541 1.811 . . . . 0.0 110.945 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.98 -44.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.7 mm -76.52 -33.16 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 109.244 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -56.01 -40.39 73.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.365 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.58 -47.22 86.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.243 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -43.19 94.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.4 mt -59.24 -45.64 90.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -43.13 68.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -56.52 -49.13 75.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mt -60.39 -41.91 94.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.3 -50.12 74.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -47.11 71.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.2 mtp -70.21 -45.34 66.77 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.501 1.126 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.26 47.46 0.93 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -102.45 -56.63 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.374 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.19 173.89 7.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.9 m -135.73 157.21 38.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.38 139.18 32.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' TRP . 33.8 mm -117.28 152.08 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -116.26 151.97 34.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.57 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 1.6 mt-10 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.372 -0.232 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -63.33 133.51 54.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.57 ' CZ2' ' CD ' ' A' ' 51' ' ' GLU . 21.7 m0 -97.94 171.51 8.23 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -124.53 147.31 48.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.17 178.31 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 12' ' ' ALA . 10.5 mt -92.14 167.4 12.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.361 179.921 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.409 ' N ' HD11 ' A' ' 5' ' ' ILE . 5.5 mm -55.04 -42.57 65.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.168 . . . . 0.0 109.246 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.4 -53.15 61.6 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.545 ' CG2' ' CG2' ' A' ' 22' ' ' ILE . 17.7 t -65.73 -47.16 86.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -55.07 -40.57 70.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.07 -46.5 34.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 14' ' ' ARG . 2.2 mm? -56.75 -51.07 70.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.404 ' HB3' ' CD2' ' A' ' 77' ' ' LEU . 9.0 mt -56.05 -24.97 42.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.43 ' CA ' HD13 ' A' ' 77' ' ' LEU . . . -86.67 -59.14 2.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 mp -56.96 -59.74 4.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.229 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.483 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 5.1 mpt_? -73.66 -10.01 59.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.9 -148.19 51.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 117.94 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 110.229 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.7 mmt -154.17 162.5 41.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.566 ' HB3' ' CD1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -68.3 156.19 38.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.31 -46.01 78.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.61 -37.2 2.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.447 ' N ' ' OE1' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -70.2 -49.47 49.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.545 ' CG2' ' CG2' ' A' ' 7' ' ' VAL . 5.1 mt -59.3 -47.68 89.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.2 p -55.05 -42.08 72.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.045 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -61.99 -46.57 88.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.24 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -47.37 -33.05 5.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.404 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -115.75 24.03 11.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' LEU . 3.3 t30 36.91 34.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -89.01 162.29 38.35 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.428 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.415 ' N ' HG21 ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.05 139.72 24.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -48.04 -52.04 43.64 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.1 Cg_endo -74.98 53.23 3.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.04 -49.15 0.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.7 mm -72.3 -35.28 51.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -56.49 -41.11 76.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.229 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.04 -46.61 87.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -45.52 87.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.056 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.417 HD12 ' CD1' ' A' ' 75' ' ' TRP . 24.8 mt -55.19 -40.35 70.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -46.75 87.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -60.0 -48.96 79.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.8 mt -60.61 -41.71 95.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.21 -50.34 73.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t -53.97 -49.99 67.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.1 . . . . 0.0 109.974 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.3 mtt -63.01 -45.39 92.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.73 46.62 0.83 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.14 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -102.94 -64.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.55 178.25 6.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.2 m -139.38 156.25 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.99 139.19 31.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 74' ' ' TRP . 34.1 mm -117.29 151.02 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -114.1 150.75 33.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.229 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -64.2 138.12 58.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.566 ' CD1' ' HB3' ' A' ' 18' ' ' GLU . 14.6 m0 -102.71 170.95 7.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.008 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.417 ' CD1' HD12 ' A' ' 37' ' ' LEU . 94.3 m95 -123.42 147.09 47.47 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.02 177.24 11.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.43 HD13 ' CA ' ' A' ' 12' ' ' ALA . 10.5 mt -99.19 159.12 15.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 mm -52.39 -42.27 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 109.351 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -52.92 63.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.579 ' CG2' ' CG2' ' A' ' 22' ' ' ILE . 14.9 t -66.16 -46.97 86.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -47.24 79.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -61.99 -51.04 69.65 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 14' ' ' ARG . 3.3 mm? -59.18 -49.08 79.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.469 ' CD2' HD11 ' A' ' 22' ' ' ILE . 6.4 mt -50.85 -28.82 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.446 ' CB ' ' CD1' ' A' ' 77' ' ' LEU . . . -86.13 -58.64 2.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.1 mt -52.93 -60.17 3.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -76.55 -9.21 58.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.449 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 66.96 -146.22 47.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.459 ' HB3' ' CB ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -70.58 120.67 16.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 0.742 . . . . 0.0 110.252 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 16' ' ' ARG . 26.2 mmt -155.45 175.49 13.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 5.0 tp10 -81.53 146.41 30.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' A' ' 18' ' ' GLU . . . -60.47 -42.71 96.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.383 1.052 . . . . 0.0 109.301 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.94 -37.99 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -74.91 -49.07 21.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.579 ' CG2' ' CG2' ' A' ' 7' ' ' VAL . 7.0 mt -55.79 -46.03 79.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 p -57.63 -48.31 79.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.77 -44.88 74.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.286 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 22' ' ' ILE . 81.6 m -48.01 -33.29 7.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.405 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.451 ' C ' ' N ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -116.22 33.46 5.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' LEU . 44.3 t-20 39.16 30.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.471 HG22 ' CD1' ' A' ' 33' ' ' ILE . 5.8 m -87.2 146.45 40.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.0 135.1 18.63 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.389 1.731 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.476 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -38.78 -52.94 3.55 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.241 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.05 53.06 3.24 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.458 ' HB3' ' CG2' ' A' ' 28' ' ' THR . 0.3 OUTLIER -146.86 -44.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 111.017 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.471 ' CD1' HG22 ' A' ' 28' ' ' THR . 32.3 mm -75.42 -35.59 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -53.54 -39.55 64.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.93 -46.27 82.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -48.31 73.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.072 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 75' ' ' TRP . 21.5 mt -56.61 -38.03 71.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -33.8 76.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -45.17 40.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.18 -38.94 88.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.79 -51.31 70.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.26 -46.95 72.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mtt -63.1 -51.14 67.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.41 47.32 1.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -102.05 -56.54 2.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.75 170.84 9.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.3 m -124.73 155.83 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -91.15 136.99 32.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 74' ' ' TRP . 42.6 mm -118.91 152.21 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -120.76 149.81 41.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.24 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.07 136.65 56.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' ILE . 18.6 m0 -100.58 169.82 8.79 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.472 ' CD1' HD11 ' A' ' 37' ' ' LEU . 93.2 m95 -133.74 148.02 51.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 107.995 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 16' ' ' ARG . . . -155.54 172.57 18.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.446 ' CD1' ' CB ' ' A' ' 12' ' ' ALA . 9.5 mt -86.73 156.05 20.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.7 mm -56.85 -41.42 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.29 -53.23 60.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.462 ' CG1' HG22 ' A' ' 22' ' ' ILE . 24.4 t -66.9 -47.15 83.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -55.5 -49.51 72.37 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -56.42 -51.28 68.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.341 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' ARG . 2.5 mm? -61.23 -51.09 70.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.44 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 5.5 mt -51.62 -29.74 18.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.064 . . . . 0.0 109.232 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' N ' HD13 ' A' ' 77' ' ' LEU . . . -86.43 -57.73 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.4 mt -53.36 -60.37 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.542 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -76.72 -8.54 57.48 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 65.36 -154.85 50.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.433 1.083 . . . . 0.0 110.997 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HB3' ' CB ' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -63.0 117.56 6.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 110.325 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 30.6 mmm -150.94 175.41 12.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 111.003 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 19' ' ' ALA . 13.8 tp10 -72.2 140.17 48.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HB1' ' CD1' ' A' ' 37' ' ' LEU . . . -56.38 -49.36 74.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.97 -39.92 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -43.08 87.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.462 HG22 ' CG1' ' A' ' 7' ' ' VAL . 7.0 mt -61.45 -51.76 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 p -55.75 -45.46 78.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -44.85 72.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.438 ' CG2' ' HG ' ' A' ' 10' ' ' LEU . 68.3 m -44.25 -37.17 3.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.382 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -115.1 36.38 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.1 t30 39.29 31.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.467 HG21 ' CD1' ' A' ' 33' ' ' ILE . 3.4 m -84.45 146.81 48.21 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.179 . . . . 0.0 110.326 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 28' ' ' THR . 18.6 Cg_endo -74.9 134.09 17.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.476 1.777 . . . . 0.0 111.032 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.474 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.9 OUTLIER -38.13 -52.84 3.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.0 53.21 3.27 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.446 1.761 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.466 ' HB3' ' CG2' ' A' ' 28' ' ' THR . 4.6 tpt -146.6 -44.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.467 ' CD1' HG21 ' A' ' 28' ' ' THR . 25.0 mm -75.72 -34.54 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -53.12 -34.86 58.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.143 . . . . 0.0 109.25 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.33 -47.26 74.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.273 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -50.74 70.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.499 HD12 ' CD1' ' A' ' 75' ' ' TRP . 8.4 mt -53.94 -41.77 68.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -34.21 68.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -69.91 -46.44 65.38 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 110.344 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.5 mt -59.43 -43.39 93.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -50.14 68.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -53.92 -45.55 71.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.58 -46.46 66.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.43 45.93 1.38 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -102.32 -53.49 2.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.384 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.42 170.46 9.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.4 m -133.79 157.68 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.407 ' HD3' ' CH2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -91.32 138.46 31.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.453 ' CD1' ' HB2' ' A' ' 76' ' ' ALA . 4.3 mp -120.75 147.29 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -109.6 152.24 25.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.54 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.24 131.89 49.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.54 ' CZ2' ' CD ' ' A' ' 51' ' ' GLU . 44.5 m0 -89.41 165.15 14.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 107.984 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.499 ' CD1' HD12 ' A' ' 37' ' ' LEU . 96.3 m95 -121.55 150.87 41.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 107.988 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 16' ' ' ARG . . . -153.92 174.57 14.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.401 HD13 ' N ' ' A' ' 12' ' ' ALA . 21.9 mt -98.79 155.4 17.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 40' ' ' LEU . 2.1 mm? . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.1 mp -49.31 -39.41 13.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.537 1.148 . . . . 0.0 109.241 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -46.49 86.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.267 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.473 ' CG1' HG21 ' A' ' 22' ' ' ILE . 49.8 t -73.38 -47.86 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -53.65 -41.29 66.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.16 -50.6 46.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.455 ' HG ' ' CG2' ' A' ' 25' ' ' THR . 1.5 mm? -58.06 -50.99 71.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.408 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 9.1 mt -55.35 -25.72 36.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.47 ' CB ' HD13 ' A' ' 77' ' ' LEU . . . -86.4 -59.04 2.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -57.15 -59.82 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.504 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 4.8 mpt_? -73.55 -11.15 60.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 68.27 -146.46 45.98 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -67.91 120.6 14.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 0.735 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.2 mmt -154.29 175.29 13.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.28 163.04 15.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.32 84.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.87 -38.64 7.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -51.96 10.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.473 HG21 ' CG1' ' A' ' 7' ' ' VAL . 32.2 mt -53.08 -47.15 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.2 p -55.31 -46.2 76.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 110.052 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -57.4 -45.63 84.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.455 ' CG2' ' HG ' ' A' ' 10' ' ' LEU . 58.3 m -45.76 -40.02 8.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -110.92 24.84 12.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.237 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER 37.69 33.2 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -86.68 162.51 44.62 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 110.441 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.76 19.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.4 OUTLIER -44.78 -51.66 21.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.6 Cg_endo -74.88 53.2 3.21 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.525 1.802 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.5 tpp -143.8 -49.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 110.999 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.4 mm -71.39 -32.68 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -57.28 -37.98 73.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.15 -46.18 71.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -50.65 69.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.068 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.6 mt -53.89 -40.57 66.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -42.92 92.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.246 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -58.51 -52.55 65.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.479 ' CD1' HD11 ' A' ' 4' ' ' LEU . 26.8 mt -52.51 -44.84 65.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.16 -53.61 51.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -53.91 -45.73 71.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.054 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mtt -66.73 -47.76 71.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.85 43.77 1.5 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.131 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -101.08 -54.62 2.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.23 173.67 7.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.6 m -133.47 157.53 42.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.07 139.19 31.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' TRP . 29.6 mm -117.01 150.41 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.39 161.47 15.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.33 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.334 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -60.06 139.73 57.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ILE . 15.0 m0 -104.02 171.71 7.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -123.81 148.74 46.44 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.78 176.54 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.47 HD13 ' CB ' ' A' ' 12' ' ' ALA . 20.0 mt -94.23 163.32 13.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 tpt85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.228 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.446 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.1 mp -52.45 -36.01 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.447 ' O ' ' CD2' ' A' ' 10' ' ' LEU . 1.4 mt-30 -58.63 -53.1 62.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.472 HG23 ' CG2' ' A' ' 22' ' ' ILE . 53.0 t -66.79 -48.19 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -53.41 -46.75 69.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.71 -50.95 70.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.461 HD12 ' CG ' ' A' ' 14' ' ' ARG . 4.2 mm? -58.79 -48.73 80.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.43 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 9.2 mt -55.41 -27.62 48.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.51 -59.11 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.34 -58.29 7.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.224 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.461 ' CG ' HD12 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -82.86 7.69 14.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 110.352 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 51.07 -140.55 22.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.58 121.56 19.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 110.273 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.4 mmm -148.92 175.46 11.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.95 159.28 23.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . . . -67.9 -40.24 83.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.46 -39.65 48.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -41.68 77.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.112 . . . . 0.0 110.347 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.472 ' CG2' HG23 ' A' ' 7' ' ' VAL . 19.2 mt -60.07 -47.67 90.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 28' ' ' THR . 43.3 p -60.01 -39.84 87.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.957 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -44.59 95.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.441 ' CG2' ' HG ' ' A' ' 10' ' ' LEU . 4.4 m -47.88 -46.24 31.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 110.408 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -108.56 22.57 15.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER 37.91 32.43 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -80.01 163.06 59.74 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 134.98 18.49 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.441 1.759 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -44.01 -52.0 16.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.09 53.93 3.53 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.09 -47.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.41 ' CD1' HG23 ' A' ' 28' ' ' THR . 19.3 mm -74.3 -35.51 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -53.94 -36.86 63.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.84 -47.06 82.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -49.27 72.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.51 HD21 ' CG ' ' A' ' 75' ' ' TRP . 21.7 mt -54.13 -38.26 65.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -47.57 79.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.86 -49.23 77.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.446 HD11 ' CD2' ' A' ' 4' ' ' LEU . 56.6 mt -56.96 -46.91 81.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.73 -51.7 68.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -54.01 -48.87 70.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 0.0 109.941 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 mtp -66.33 -42.36 88.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.26 45.12 1.38 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.483 1.114 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -99.86 -63.06 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 0.81 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.11 175.32 6.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.165 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.35 155.71 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.404 ' CD ' ' CH2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -85.83 139.13 31.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 74' ' ' TRP . 21.5 mm -117.65 152.01 19.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -117.97 152.5 35.35 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.07 143.91 54.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' ILE . 15.9 m0 -105.1 171.37 7.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.51 ' CG ' HD21 ' A' ' 37' ' ' LEU . 95.6 m95 -124.59 147.78 48.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 108.002 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.03 169.33 24.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.0 mt -86.06 156.39 20.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 mm -65.41 -34.06 67.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.13 -53.76 50.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.474 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . 5.1 p -64.86 -37.39 80.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -67.16 -52.95 35.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -55.89 -49.24 73.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.23 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 14' ' ' ARG . 1.6 mm? -60.91 -48.08 83.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.492 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 10.0 mt -54.24 -29.51 46.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' N ' HD12 ' A' ' 77' ' ' LEU . . . -86.82 -55.84 3.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.3 mt -55.58 -60.58 3.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.543 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -78.02 -7.44 56.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 70.29 -155.13 52.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.463 1.102 . . . . 0.0 111.058 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 138.56 57.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 0.792 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.419 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 45.0 tpp -177.17 158.35 1.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.553 ' HB3' ' CD1' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -69.45 153.58 43.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.252 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.64 -38.79 90.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.7 -37.69 6.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -50.82 12.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.379 1.049 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.474 ' CG2' ' HA ' ' A' ' 7' ' ' VAL . 5.7 mt -55.72 -38.0 49.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' THR . 81.2 p -62.23 -49.63 74.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.95 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -44.57 80.12 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 m -44.83 -45.85 10.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.443 ' C ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -104.4 30.99 4.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 109.263 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' LEU . 19.2 t30 39.11 30.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -86.74 151.27 52.34 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.428 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.443 ' N ' HG21 ' A' ' 28' ' ' THR . 18.1 Cg_endo -74.95 133.15 16.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.483 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -38.43 -52.57 3.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -74.99 54.14 3.55 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.524 1.802 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.31 -46.32 0.22 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.173 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.2 mm -76.49 -38.48 31.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.357 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -52.19 -38.01 56.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.8 91.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.363 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -48.96 68.76 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.2 mt -56.22 -36.43 68.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -37.12 84.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.24 -45.66 62.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.6 mt -60.59 -41.75 95.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.59 -50.75 71.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -54.04 -52.51 60.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.1 mtt -59.93 -45.89 91.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.47 45.58 2.12 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -98.7 -49.37 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.83 175.92 6.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.8 m -131.83 153.7 39.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -86.36 139.14 31.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.8 mm -117.64 151.91 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -110.65 152.15 26.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.356 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.15 142.22 57.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.368 1.042 . . . . 0.0 110.219 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.553 ' CD1' ' HB3' ' A' ' 18' ' ' GLU . 15.9 m0 -102.87 170.98 7.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 107.982 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -124.64 148.66 47.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 108.007 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.16 178.58 10.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 12' ' ' ALA . 9.5 mt -98.06 155.64 17.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.2 tp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.5 mp -47.49 -41.92 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.353 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -46.73 86.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.523 ' CG2' ' CG2' ' A' ' 22' ' ' ILE . 99.5 t -72.58 -48.2 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -50.82 -36.01 35.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.08 -49.26 20.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 14' ' ' ARG . 1.5 mm? -59.37 -51.3 70.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.416 ' CD2' HD12 ' A' ' 22' ' ' ILE . 12.2 mt -54.22 -25.04 20.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.428 ' CA ' HD11 ' A' ' 77' ' ' LEU . . . -86.85 -59.48 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.47 -60.12 4.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' LEU . 6.0 mpt_? -71.41 -14.65 62.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.58 -154.84 53.37 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 120.72 12.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 0.737 . . . . 0.0 110.266 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.7 mmt -155.98 175.47 13.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.81 151.82 39.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.94 -40.01 83.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.74 -38.63 4.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.588 1.18 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -68.41 -47.53 67.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.215 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.523 ' CG2' ' CG2' ' A' ' 7' ' ' VAL . 22.4 mt -58.06 -44.67 87.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 28' ' ' THR . 51.3 p -57.39 -43.47 83.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 109.976 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -60.88 -44.88 96.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.5 m -44.78 -47.6 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -105.02 24.96 11.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER 37.94 31.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -84.38 162.49 51.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.35 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.46 21.75 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.498 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -46.08 -51.63 31.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -74.98 53.01 3.2 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.16 -44.45 0.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.964 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.441 HG21 ' CD1' ' A' ' 37' ' ' LEU . 24.2 mm -77.38 -36.9 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -55.03 -42.18 72.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.361 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.15 -46.87 84.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -47.18 77.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.424 1.078 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.441 ' CD1' HG21 ' A' ' 33' ' ' ILE . 21.5 mt -56.58 -37.66 70.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -42.9 98.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -51.03 65.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.6 mt -56.83 -45.04 82.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.91 -50.68 70.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.1 t -54.04 -48.56 70.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.7 mtt -61.2 -54.87 38.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.06 38.04 0.62 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -106.22 -36.64 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.455 ' O ' ' CG1' ' A' ' 47' ' ' VAL . . . -100.46 -179.46 4.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.236 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.455 ' CG1' ' O ' ' A' ' 46' ' ' ALA . 22.0 m -155.19 146.03 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -89.29 138.81 31.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 76' ' ' ALA . 4.1 mp -120.17 152.17 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.607 1.192 . . . . 0.0 109.368 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -110.89 150.65 28.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.509 ' HG3' ' CE2' ' A' ' 74' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.8 138.83 58.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.509 ' CE2' ' HG3' ' A' ' 51' ' ' GLU . 27.5 m0 -93.89 168.86 10.7 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -122.97 145.03 48.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 107.982 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.471 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . . . -156.29 178.95 9.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.428 HD11 ' CA ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -89.89 152.04 21.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.451 ' HA ' ' CG1' ' A' ' 47' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.461 ' CD1' HD12 ' A' ' 40' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.5 mm -63.56 -33.91 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.45 -53.41 55.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.471 ' CG2' HG22 ' A' ' 22' ' ' ILE . 5.6 p -67.78 -36.41 75.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.061 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -67.1 -50.39 61.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -55.95 -49.32 73.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.08 -47.78 83.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.44 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 12.0 mt -58.59 -25.78 62.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.47 ' CB ' HD13 ' A' ' 77' ' ' LEU . . . -86.73 -59.17 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.48 -59.41 5.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.1 mmm-85 -78.99 1.22 24.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.212 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 58.97 -142.59 46.27 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.469 1.106 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -66.65 131.23 45.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.583 0.813 . . . . 0.0 110.23 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.89 152.61 5.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -68.07 160.01 29.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.279 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.41 -39.08 81.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.83 -38.13 3.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -47.23 20.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.471 HG22 ' CG2' ' A' ' 7' ' ' VAL . 8.6 mt -58.05 -44.99 88.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.37 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 97.5 p -56.48 -46.47 80.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 109.974 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -58.1 -45.55 87.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.6 m -45.97 -47.43 16.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.446 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -103.49 24.43 11.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LEU . 51.0 t-20 37.92 33.65 0.05 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -87.35 162.68 42.18 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 110.441 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 135.88 19.72 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.506 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -46.28 -50.83 37.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.361 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -75.06 53.36 3.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.1 ttp -145.86 -44.74 0.21 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.466 HG22 ' CD1' ' A' ' 37' ' ' LEU . 25.2 mm -77.41 -35.94 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -55.72 -40.94 73.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.38 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.39 -46.2 87.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.452 ' SD ' ' CD2' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -62.82 -51.53 66.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 33' ' ' ILE . 20.1 mt -53.84 -39.38 65.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -30.97 70.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -53.18 18.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.461 HD12 ' CD1' ' A' ' 4' ' ' LEU . 15.7 mt -54.54 -42.39 70.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.97 -51.27 70.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -53.9 -47.32 71.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.2 mtt -67.54 -43.35 80.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.53 45.44 1.32 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.561 1.163 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -100.53 -55.62 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.741 . . . . 0.0 109.235 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.92 175.91 6.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.0 m -132.01 158.13 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.354 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -91.93 135.83 33.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 74' ' ' TRP . 3.9 mp -118.82 151.89 21.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -110.66 152.38 26.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.597 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -59.95 137.74 58.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.597 ' CZ2' ' CD ' ' A' ' 51' ' ' GLU . 31.0 m0 -91.77 169.53 10.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 108.033 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -125.6 148.62 48.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 108.01 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.403 ' HB2' ' CD1' ' A' ' 49' ' ' ILE . . . -155.05 160.25 40.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.47 HD13 ' CB ' ' A' ' 12' ' ' ALA . 30.6 mt -76.06 158.55 31.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.09 . . . . 0.0 109.239 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.3 mm -56.21 -41.98 71.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.412 ' NE2' ' CD2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -58.09 -45.05 87.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.472 ' CG1' HG21 ' A' ' 22' ' ' ILE . 60.1 t -74.26 -45.82 46.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.581 1.176 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -59.51 -40.17 86.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -66.89 -46.56 74.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.443 ' HG ' ' CG2' ' A' ' 25' ' ' THR . 2.2 mm? -65.82 -51.37 59.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.481 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 9.3 mt -54.13 -28.38 39.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.415 ' N ' HD11 ' A' ' 77' ' ' LEU . . . -86.77 -58.83 2.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.8 mt -55.01 -61.06 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.542 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -76.33 -7.33 54.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 69.8 -154.52 52.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.435 ' CB ' ' HB3' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -59.97 139.92 57.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -177.21 151.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.438 ' OE1' ' CB ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -61.43 158.87 13.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.35 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.418 ' HB3' ' CD1' ' A' ' 37' ' ' LEU . . . -67.73 -40.69 84.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.438 ' CB ' ' OE1' ' A' ' 18' ' ' GLU . . . -43.67 -38.06 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -52.1 15.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.226 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.472 HD12 ' CD2' ' A' ' 11' ' ' LEU . 6.2 mt -52.91 -46.61 52.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.7 p -54.65 -46.62 74.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.046 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.79 -46.35 84.75 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.443 ' CG2' ' HG ' ' A' ' 10' ' ' LEU . 95.2 m -47.67 -34.79 8.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -116.09 24.24 11.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.414 1.071 . . . . 0.0 109.355 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LEU . 4.4 t-20 38.18 31.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -86.65 159.86 51.61 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.415 ' N ' HG21 ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.98 135.37 19.02 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.533 1.807 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -44.33 -51.54 19.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.4 Cg_endo -74.98 53.29 3.28 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.543 1.812 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -145.26 -49.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.9 mm -72.88 -38.4 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -51.85 -37.67 52.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.12 -42.0 72.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.365 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 mtt -73.6 -42.61 61.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.418 ' CD1' ' HB3' ' A' ' 19' ' ' ALA . 21.7 mt -60.57 -32.64 71.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -40.67 74.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.264 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -64.88 -48.43 74.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.1 mt -57.6 -41.1 80.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.09 -55.24 30.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.2 t -54.15 -48.44 70.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 mtm -66.34 -47.98 71.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.04 43.88 1.58 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -101.16 -42.81 6.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.15 178.5 5.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.1 m -136.63 155.71 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.7 139.12 30.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.387 1.054 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 74' ' ' TRP . 6.2 mm -116.16 151.89 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -112.83 151.83 29.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.609 1.193 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.18 136.98 58.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' ILE . 17.7 m0 -102.48 169.01 8.94 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -121.24 149.05 43.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 107.995 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.435 ' HB3' ' CB ' ' A' ' 16' ' ' ARG . . . -155.45 178.18 10.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 11' ' ' LEU . 1.5 mp -96.51 159.26 15.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.397 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.6 tpt85 . . . . . 0 C--N 1.323 -0.552 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.504 ' CD1' ' CD1' ' A' ' 40' ' ' LEU . 1.7 mm? . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.4 mm -62.06 -37.18 77.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.569 ' NE2' ' CD2' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -58.92 -53.98 52.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -65.96 -36.77 78.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -67.9 -36.09 79.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 110.355 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -75.08 -47.47 28.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.35 -47.84 80.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.499 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 9.9 mt -53.0 -33.0 49.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.458 ' CB ' HD13 ' A' ' 77' ' ' LEU . . . -84.28 -57.91 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.1 mt -51.5 -60.11 3.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.537 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 4.7 mpt_? -78.04 -8.45 58.21 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 68.64 -156.84 53.26 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.404 ' O ' ' SD ' ' A' ' 17' ' ' MET . 0.3 OUTLIER -63.0 118.43 7.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 0.74 . . . . 0.0 110.322 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.404 ' SD ' ' O ' ' A' ' 16' ' ' ARG . 25.0 mmt -155.55 175.26 14.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.79 163.24 17.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 110.339 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.93 -37.71 81.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.66 -37.9 6.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.55 1.156 . . . . 0.0 109.361 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -46.47 40.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.46 HG22 ' CD1' ' A' ' 26' ' ' LEU . 11.6 mt -59.71 -55.31 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.8 p -50.0 -35.87 26.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.057 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -49.03 67.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.5 m -62.57 -49.98 73.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.569 ' CD2' ' NE2' ' A' ' 6' ' ' GLN . 20.3 mt -67.12 -10.14 47.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.19 34.54 8.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.463 HG22 ' N ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -113.85 164.62 15.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.463 ' N ' HG22 ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.01 135.2 18.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.966 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.489 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -39.0 -52.47 3.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.4 Cg_endo -74.99 53.87 3.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.418 ' HB3' ' CG2' ' A' ' 28' ' ' THR . 1.6 tpt -144.25 -49.29 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.47 ' CD1' HD13 ' A' ' 26' ' ' LEU . 12.0 mm -73.65 -30.28 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -54.69 -32.32 59.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 109.256 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.17 -46.33 71.03 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.593 1.183 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -49.47 72.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.1 mt -53.66 -36.53 62.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -41.63 96.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -63.91 -53.08 56.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.504 ' CD1' ' CD1' ' A' ' 4' ' ' LEU . 50.4 mt -55.82 -42.16 75.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -58.03 -52.59 64.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -53.87 -46.54 71.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 mtt -62.77 -48.68 78.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.04 47.87 0.98 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -102.5 -59.83 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 0.795 . . . . 0.0 109.349 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.98 -179.6 5.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.6 m -135.25 157.42 40.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.497 ' CD ' ' CH2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -91.48 139.38 30.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.5 mm -117.08 151.63 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -113.5 151.49 31.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.246 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -61.2 137.59 58.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -104.23 170.27 8.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 108.016 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.497 ' CH2' ' CD ' ' A' ' 48' ' ' ARG . 96.4 m95 -123.67 148.11 46.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 107.965 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.13 178.85 9.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.458 HD13 ' CB ' ' A' ' 12' ' ' ALA . 11.4 mt -99.37 156.77 16.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.597 1.186 . . . . 0.0 110.305 -179.888 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.442 0.163 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.5 -174.8 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 p -96.91 160.64 14.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.471 ' O ' ' CG1' ' A' ' 7' ' ' VAL . 2.7 mt -76.0 -35.02 59.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 mm -51.85 -28.78 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -63.57 -53.28 54.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.348 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 4' ' ' LEU . 6.0 p -65.69 -37.02 78.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -68.57 -47.43 66.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -62.08 -51.33 68.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' ARG . 3.6 mm? -58.37 -42.01 86.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.456 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 11.0 mt -58.89 -30.32 67.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.98 -51.96 5.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.3 mt -58.66 -59.91 4.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' LEU . 9.5 mmm-85 -82.02 3.45 26.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.456 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 57.99 -142.19 44.44 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.21 127.34 32.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.245 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 43.1 tpp -166.97 152.24 7.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.57 ' HB3' ' CD1' ' A' ' 74' ' ' TRP . 1.2 pt-20 -65.34 160.96 20.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.469 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . . . -68.15 -39.17 82.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.64 -38.16 2.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -52.03 14.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.467 HG21 ' CG2' ' A' ' 7' ' ' VAL . 5.7 mt -56.39 -49.49 76.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 28' ' ' THR . 50.4 p -53.38 -41.54 66.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.053 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -45.09 94.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.9 m -48.27 -46.15 35.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.406 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.444 ' C ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -100.37 21.68 12.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' LEU . 7.7 t-20 39.12 30.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -83.4 163.36 50.31 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.376 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.415 ' N ' HG23 ' A' ' 28' ' ' THR . 18.4 Cg_endo -74.99 137.2 21.44 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.536 1.808 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.495 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -45.97 -51.92 28.93 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.342 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.01 53.42 3.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.559 1.82 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.59 -48.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.6 mm -74.91 -38.38 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -55.2 -42.72 73.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.7 -46.82 86.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -46.51 84.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 20.8 mt -54.21 -39.72 66.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -45.24 94.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.337 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -60.85 -52.38 65.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.3 mt -56.62 -45.21 81.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.13 -50.03 72.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -54.01 -48.02 70.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mtt -62.54 -51.94 65.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.58 46.38 0.62 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -102.46 -59.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.03 173.95 7.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.7 m -131.96 156.14 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.02 137.71 32.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 74' ' ' TRP . 21.6 mm -116.47 149.91 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -115.54 149.95 37.35 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 0.3 OUTLIER -105.18 167.57 9.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -41.26 146.3 0.53 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -126.41 164.07 21.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -155.81 175.38 33.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.1 p -170.43 163.58 8.56 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -105.86 159.78 15.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.98 128.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.94 -115.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.98 91.74 4.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.96 158.27 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 108.32 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.01 134.67 47.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.16 120.23 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.954 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.39 164.16 19.24 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 108.315 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.55 1.816 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.44 59.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.48 -70.23 3.03 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.502 1.126 . . . . 0.0 111.046 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt 60.67 166.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 109.297 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.57 165.37 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.5 m -93.66 164.02 13.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.314 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 71' ' ' LEU . 4.6 mm? -53.74 161.02 1.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.72 87.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.74 131.06 47.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.57 ' CD1' ' HB3' ' A' ' 18' ' ' GLU . 30.9 m0 -99.83 171.3 7.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 107.991 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.422 ' CD1' HD13 ' A' ' 37' ' ' LEU . 96.9 m95 -126.52 149.93 49.08 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.15 178.99 9.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 mt -93.65 162.23 14.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.533 0.206 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.31 -169.33 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 p -90.44 159.84 16.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.011 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.24 -35.83 63.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.6 mm -47.64 -39.02 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -58.28 -51.31 70.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.231 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.481 HG23 ' CG2' ' A' ' 22' ' ' ILE . 60.7 t -68.15 -48.06 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.17 . . . . 0.0 109.363 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -54.4 -44.94 72.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -65.16 -51.15 62.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.451 ' HG ' ' CG2' ' A' ' 25' ' ' THR . 4.2 mm? -57.01 -43.36 81.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.444 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 7.7 mt -56.53 -31.99 64.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.465 ' HB3' ' CD1' ' A' ' 77' ' ' LEU . . . -86.28 -55.7 3.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.4 mt -53.75 -59.51 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' LEU . 11.0 mmm180 -82.35 3.56 27.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.363 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.444 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 55.15 -141.76 36.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.431 1.082 . . . . 0.0 110.982 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' O ' ' SD ' ' A' ' 17' ' ' MET . 0.0 OUTLIER -69.52 120.47 15.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 0.77 . . . . 0.0 110.339 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 16' ' ' ARG . 82.6 mmm -152.53 175.51 12.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -91.98 161.81 14.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.67 90.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.98 -40.3 4.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -51.93 15.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.481 ' CG2' HG23 ' A' ' 7' ' ' VAL . 19.9 mt -54.26 -43.35 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 28' ' ' THR . 13.7 p -59.84 -43.66 94.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.968 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -44.39 97.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.451 ' CG2' ' HG ' ' A' ' 10' ' ' LEU . 3.7 m -47.26 -45.44 23.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -107.57 23.18 14.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' LEU . 57.1 t30 37.85 32.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -80.02 162.98 60.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.365 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.418 ' N ' HG21 ' A' ' 28' ' ' THR . 18.5 Cg_endo -74.98 134.4 17.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.453 1.765 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.485 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -41.73 -52.26 8.74 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.01 52.25 3.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.3 tpt -142.65 -45.2 0.31 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 111.068 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.2 mm -76.84 -31.29 19.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -61.36 -43.87 98.13 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.7 -45.16 95.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -52.4 61.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.458 HD22 ' CB ' ' A' ' 75' ' ' TRP . 25.6 mt -53.85 -38.53 64.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.95 -35.93 73.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.45 -49.77 51.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.248 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.3 mt -59.37 -41.24 88.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -63.06 -52.09 64.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.2 t -53.99 -51.16 64.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.1 mtp -62.5 -48.41 79.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.069 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.76 45.73 0.95 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -100.23 -53.59 3.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 76' ' ' ALA . . . -96.14 170.96 8.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.06 152.21 36.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -85.19 139.17 31.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' TRP . 3.6 mp -119.77 146.17 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.404 ' N ' HG21 ' A' ' 49' ' ' ILE . 28.4 tt0 -103.68 150.41 24.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.489 ' HG3' ' CE2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -115.13 169.02 9.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -43.01 121.58 2.97 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 111.031 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.98 164.82 19.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -40.82 157.83 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.6 m -147.8 -58.22 0.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 62.16 122.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.5 p -75.5 160.1 30.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.35 -140.56 4.31 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.59 1.181 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.22 164.12 25.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 110.025 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.4 p -70.24 150.42 46.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 108.355 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.64 117.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.1 p -173.77 169.68 4.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 110.038 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 13.2 t -163.74 72.67 1.8 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 108.346 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.491 1.785 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -124.82 -150.83 0.46 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.081 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 157.81 142.98 3.53 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.67 -179.12 2.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 0.0 109.242 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -42.62 158.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 92.7 m -76.84 157.26 31.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -49.48 160.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.238 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.18 90.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.548 1.155 . . . . 0.0 110.352 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.67 139.68 58.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.489 ' CE2' ' HG3' ' A' ' 51' ' ' GLU . 38.0 m0 -93.03 169.2 10.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 108.041 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.458 ' CB ' HD22 ' A' ' 37' ' ' LEU . 95.6 m95 -123.56 148.7 46.09 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.434 ' O ' ' CB ' ' A' ' 46' ' ' ALA . . . -156.03 179.25 9.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 12' ' ' ALA . 5.8 mt -96.76 152.8 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.454 0.168 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.96 148.17 24.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 p 175.98 161.14 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.84 -38.21 69.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.589 1.181 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.4 mt -55.56 -43.63 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -57.79 -53.07 62.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.601 ' CG2' ' CG2' ' A' ' 22' ' ' ILE . 46.4 t -65.59 -47.81 84.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -53.39 -45.26 69.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.69 -51.11 64.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 14' ' ' ARG . 1.2 mm? -57.6 -51.1 70.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.432 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 9.2 mt -54.75 -26.37 33.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.2 -59.14 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -55.34 -59.7 4.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.495 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 5.0 mpt_? -74.51 -11.61 60.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.367 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.432 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 69.15 -146.1 43.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.444 1.09 . . . . 0.0 110.943 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.82 125.7 25.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.754 . . . . 0.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.3 mmt -158.19 175.19 14.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -91.28 161.7 14.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.381 1.05 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.18 -41.15 90.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.89 -39.32 3.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -45.52 26.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.605 1.191 . . . . 0.0 110.278 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.601 ' CG2' ' CG2' ' A' ' 7' ' ' VAL . 38.1 mt -57.44 -50.12 78.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' THR . 68.1 p -58.63 -38.74 78.7 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.7 -44.81 93.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 m -50.73 -45.11 58.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.45 ' C ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -105.55 20.7 18.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 23' ' ' SER . 1.6 t-20 38.84 31.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.45 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -79.73 163.14 59.99 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.413 ' N ' HG21 ' A' ' 28' ' ' THR . 18.4 Cg_endo -74.94 136.95 21.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.954 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.478 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -43.13 -53.28 10.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -75.03 53.18 3.27 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.779 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.55 -46.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 mm -75.8 -34.51 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -57.44 -42.06 81.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.52 -46.43 83.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -49.95 72.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.559 HD13 ' CD1' ' A' ' 75' ' ' TRP . 28.8 mt -55.1 -40.65 70.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -45.57 92.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.238 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -61.22 -50.25 73.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.6 mt -58.46 -38.93 78.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.36 -52.71 64.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.8 t -55.69 -46.04 77.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.952 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.5 mtt -66.95 -49.38 65.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.31 47.68 0.85 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -100.32 -59.8 1.64 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.535 0.785 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.11 179.35 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.3 m -135.72 157.72 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.94 138.99 30.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 17.3 mm -117.82 151.71 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -111.92 153.62 26.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.54 165.36 11.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -46.62 107.08 0.64 Allowed Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.483 1.114 . . . . 0.0 110.363 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -85.2 163.68 18.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -142.13 92.21 0.18 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.563 1.165 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.9 t -174.7 152.62 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -53.26 121.29 7.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.0 p -114.65 100.58 8.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.042 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.27 156.64 0.18 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -114.79 114.31 25.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 0.0 110.043 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 76.25 -62.92 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 108.24 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.36 142.65 29.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.2 m -105.66 165.28 11.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -84.36 166.64 31.8 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 108.273 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -162.34 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.408 1.741 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.98 106.78 9.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.239 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 176.76 75.21 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.16 152.04 16.45 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.465 0.744 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.43 120.03 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.2 m -77.76 150.98 34.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 108.281 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -55.5 160.84 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.63 88.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.43 139.49 58.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -104.0 172.04 7.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.559 ' CD1' HD13 ' A' ' 37' ' ' LEU . 96.5 m95 -123.76 148.8 46.31 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.97 174.13 15.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.601 1.188 . . . . 0.0 109.342 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.8 mt -87.23 157.58 19.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.494 0.188 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.67 178.1 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 p -173.0 159.31 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.931 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.86 -34.37 60.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.8 mm -62.9 -26.99 42.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.18 -54.67 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.47 ' CG2' HG22 ' A' ' 22' ' ' ILE . 7.4 p -62.65 -34.94 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -67.94 -41.63 82.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -73.63 -46.13 48.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 14' ' ' ARG . 2.6 mm? -57.44 -49.98 74.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.43 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 12.3 mt -55.95 -26.4 47.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.437 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -85.92 -59.19 2.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.64 -59.81 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.261 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.514 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 5.4 mpt_? -73.93 -12.19 60.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 69.76 -146.77 44.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -65.81 120.45 13.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 12.4 mmt -153.82 175.23 13.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' OE1' ' CB ' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -92.1 163.86 13.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.57 -38.2 83.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.416 ' CB ' ' OE1' ' A' ' 18' ' ' GLU . . . -48.69 -38.05 20.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -52.17 13.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.47 HG22 ' CG2' ' A' ' 7' ' ' VAL . 19.9 mt -56.4 -51.44 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 28' ' ' THR . 93.3 p -53.49 -41.22 66.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -44.64 96.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.069 . . . . 0.0 110.3 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.2 m -45.6 -39.58 7.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.357 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -112.34 25.07 11.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LEU . 1.2 t30 37.75 32.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.265 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -83.31 163.11 51.67 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.441 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.433 ' N ' HG22 ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.0 136.01 19.84 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.442 1.759 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -44.63 -51.89 19.74 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.4 Cg_endo -74.92 53.29 3.26 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.526 1.803 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.87 -46.18 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.1 mm -76.5 -38.27 31.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -53.64 -40.0 65.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.86 -46.52 87.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.39 -49.0 70.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.527 HD11 ' CD1' ' A' ' 75' ' ' TRP . 20.6 mt -55.86 -38.35 69.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -45.68 88.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -59.03 -49.15 78.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 110.293 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.9 mt -56.63 -43.63 80.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.68 -53.83 53.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 t -53.99 -48.47 70.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.938 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.7 mtt -65.34 -45.67 83.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.39 44.53 1.45 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -100.63 -54.92 2.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.777 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.18 172.77 8.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 109.23 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.1 m -126.61 154.14 36.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -87.57 139.04 30.94 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.466 ' CG1' ' HB1' ' A' ' 76' ' ' ALA . 23.2 mm -118.33 151.78 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -113.8 152.88 30.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.148 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.48 170.26 8.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.51 120.17 42.54 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 111.048 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.99 166.15 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.82 107.23 2.76 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 31.6 p -94.26 141.35 28.66 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.02 109.09 16.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.3 m -145.85 83.47 1.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.035 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 128.02 138.56 4.65 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.452 1.095 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -125.79 102.55 7.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.979 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.55 127.98 41.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 108.247 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -51.3 144.39 9.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.89 121.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 6.7 t -155.4 98.85 2.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 108.269 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -162.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.817 . . . . 0.0 111.06 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.2 -149.59 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.247 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 179.77 -105.17 0.19 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -51.97 148.12 6.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.417 0.716 . . . . 0.0 109.236 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.14 176.38 2.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 94.6 m -57.11 157.78 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 108.255 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -55.88 160.77 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.621 1.201 . . . . 0.0 109.262 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.45 90.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -60.06 139.86 57.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 110.341 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -103.13 170.76 7.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 107.988 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.527 ' CD1' HD11 ' A' ' 37' ' ' LEU . 95.6 m95 -120.85 151.76 39.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 107.99 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.466 ' HB1' ' CG1' ' A' ' 49' ' ' ILE . . . -155.8 175.05 14.44 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.437 HD11 ' CB ' ' A' ' 12' ' ' ALA . 31.8 mt -92.55 157.97 16.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mtt . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.481 0.181 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.03 139.73 1.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 p -167.23 167.06 14.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.048 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.74 -35.37 78.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.82 -33.0 59.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -62.63 -53.4 55.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.467 HG22 ' CG2' ' A' ' 22' ' ' ILE . 5.2 p -67.38 -38.37 80.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -64.15 -38.25 90.37 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -75.31 -41.95 55.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.594 1.184 . . . . 0.0 109.247 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.22 -51.48 66.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.599 1.187 . . . . 0.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.449 ' CD2' HD12 ' A' ' 22' ' ' ILE . 9.1 mt -57.44 -24.45 55.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.407 ' N ' HD13 ' A' ' 77' ' ' LEU . . . -86.43 -59.24 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.244 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.41 -59.92 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.54 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.5 OUTLIER -73.13 -11.45 60.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.88 -149.02 51.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 -61.12 126.01 25.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 0.786 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.444 ' CE ' ' HG3' ' A' ' 21' ' ' GLN . 9.8 tpt -173.76 151.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 17' ' ' MET . 0.7 OUTLIER -59.78 156.36 14.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.403 ' HB3' ' CD1' ' A' ' 37' ' ' LEU . . . -67.67 -38.4 83.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.29 -37.66 3.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' HG3' ' CE ' ' A' ' 17' ' ' MET . 0.1 OUTLIER -72.99 -52.52 14.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CG2' HG22 ' A' ' 7' ' ' VAL . 4.4 mt -57.06 -47.36 83.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' THR . 95.9 p -56.18 -39.49 72.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.142 . . . . 0.0 109.977 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.14 -44.94 90.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.7 m -45.03 -47.26 11.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.388 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.451 ' C ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -99.55 23.67 9.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.387 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' LEU . 5.6 t-20 39.1 30.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.451 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -83.91 162.88 51.0 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.426 ' N ' HG21 ' A' ' 28' ' ' THR . 18.4 Cg_endo -75.06 137.89 22.18 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.471 1.774 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -46.83 -51.88 35.92 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 110.339 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.6 Cg_endo -74.96 52.96 3.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.801 . . . . 0.0 111.088 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.77 -45.07 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.9 mm -78.24 -37.83 22.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.167 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -56.16 -39.81 72.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.71 -46.67 88.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.83 -47.73 79.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 111.026 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.492 HD11 ' CG ' ' A' ' 75' ' ' TRP . 21.1 mt -55.37 -41.57 72.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -45.63 93.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.6 1.187 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -60.95 -50.13 74.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.7 mt -58.59 -42.21 87.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.96 -50.89 71.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.234 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -53.95 -46.44 71.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.982 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 mtt -64.37 -54.53 31.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.5 40.63 0.49 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -101.57 -64.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.18 173.6 7.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.2 m -136.11 157.42 37.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.58 139.45 30.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' TRP . 49.7 mm -120.2 152.4 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.389 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.07 161.04 18.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.573 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 2.1 mt-10 -115.26 170.46 8.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.334 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.77 101.95 0.26 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.187 . . . . 0.0 110.258 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.475 1.776 . . . . 0.0 111.05 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.74 169.18 8.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -78.51 -170.16 36.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.1 t -98.85 134.0 42.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -102.49 179.73 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.95 152.76 9.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.976 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -137.64 152.37 21.62 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.567 1.167 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.4 t -104.73 115.25 30.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.976 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 67.48 103.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 108.267 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.4 mttp 56.49 178.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.6 p -176.58 165.27 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.75 154.51 44.78 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 108.237 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.46 1.769 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -129.14 -150.65 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.18 106.82 0.27 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.433 1.083 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.86 151.61 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.8 135.03 55.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.6 p -59.36 155.28 14.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 108.347 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -53.71 160.87 1.23 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.75 90.04 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 110.263 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -61.45 136.75 58.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.573 ' CZ2' ' CD ' ' A' ' 51' ' ' GLU . 18.5 m0 -95.6 170.06 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 108.07 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.492 ' CG ' HD11 ' A' ' 37' ' ' LEU . 96.2 m95 -124.13 149.52 46.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 108.067 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.26 168.54 26.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.407 HD13 ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -100.51 160.79 14.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.162 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.502 0.191 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.44 173.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 p -165.92 161.7 17.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.056 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.404 ' O ' HG11 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -61.51 -36.96 82.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.1 mm -70.31 -27.35 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.441 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -75.82 -53.92 7.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.404 HG11 ' O ' ' A' ' 4' ' ' LEU . 6.1 p -62.85 -34.71 67.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 8' ' ' ARG . 6.1 mtp-105 -66.7 -53.69 30.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -55.84 -47.13 77.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 14' ' ' ARG . 1.4 mm? -61.92 -51.02 69.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.462 ' CD2' HD12 ' A' ' 22' ' ' ILE . 13.1 mt -56.4 -24.99 48.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.349 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.91 -59.65 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -58.32 -60.21 4.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.544 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -75.01 -6.65 50.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.439 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 68.24 -150.71 51.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.413 1.071 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.438 ' CB ' ' HB2' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -64.49 139.27 58.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.778 . . . . 0.0 110.335 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 tpt -177.33 148.7 0.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.92 147.93 50.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 110.345 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.47 ' HB1' ' CD1' ' A' ' 37' ' ' LEU . . . -59.11 -40.76 86.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.61 -36.89 2.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -51.31 11.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 110.251 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.462 HD12 ' CD2' ' A' ' 11' ' ' LEU . 5.6 mt -54.57 -51.04 54.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.8 p -50.18 -42.31 51.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.394 1.058 . . . . 0.0 110.029 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.36 -45.55 87.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.226 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.2 m -60.66 -43.76 97.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.473 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 6' ' ' GLN . 9.3 mt -83.17 6.81 18.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 48.63 51.35 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -124.84 164.22 32.49 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.435 ' N ' HG23 ' A' ' 28' ' ' THR . 18.4 Cg_endo -74.95 133.64 16.91 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 111.041 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.3 OUTLIER -41.59 -51.52 8.95 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.351 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -75.01 53.91 3.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.782 . . . . 0.0 111.008 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.64 -46.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.5 mm -75.23 -36.2 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -52.48 -38.07 58.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.73 -47.0 80.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -52.36 63.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.47 ' CD1' ' HB1' ' A' ' 19' ' ' ALA . 13.6 mt -53.7 -41.03 66.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -42.0 97.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 110.248 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -66.57 -50.79 61.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 85.0 mt -56.99 -46.13 82.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -50.66 71.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.248 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.8 t -54.37 -45.79 72.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 110.015 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 mtp -69.96 -45.92 66.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.7 46.78 1.17 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.2 -43.9 5.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.88 172.0 7.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.0 m -127.4 158.1 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.22 139.12 30.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.17 . . . . 0.0 110.272 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.446 ' CG1' ' HB3' ' A' ' 76' ' ' ALA . 5.0 mm -118.82 147.24 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -110.97 150.68 28.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.263 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.76 171.04 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.18 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.87 138.62 3.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -162.38 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.0 t70 178.37 139.94 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.44 160.68 9.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.57 1.169 . . . . 0.0 111.031 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.1 t -160.69 134.5 6.95 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.14 133.26 44.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.9 m -153.53 145.46 23.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -114.4 66.16 0.28 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.579 1.174 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 m -122.72 169.35 11.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 0.0 110.028 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 32.0 p -162.45 163.66 27.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 108.292 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.95 155.35 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.55 126.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.6 p -172.02 147.49 1.91 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 108.311 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.799 . . . . 0.0 111.036 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -135.02 107.06 7.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.21 153.4 6.09 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.47 158.62 8.02 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.535 0.785 . . . . 0.0 109.398 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 179.15 156.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 99.2 m -80.66 149.84 29.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 108.276 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.73 161.82 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.83 91.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -59.98 135.53 57.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' ILE . 28.2 m0 -100.26 172.13 7.36 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -124.97 147.72 48.77 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.446 ' HB3' ' CG1' ' A' ' 49' ' ' ILE . . . -153.59 178.54 9.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 mt -97.91 158.5 15.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.365 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.513 0.197 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.54 144.22 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 p 170.7 162.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 110.008 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mt -56.47 -37.98 71.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 mm -56.8 -41.56 75.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -53.31 59.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.47 ' CG1' HG22 ' A' ' 22' ' ' ILE . 76.6 t -66.25 -48.25 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -52.37 -40.06 61.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -75.1 -47.13 30.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.601 1.188 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' ARG . 1.4 mm? -57.68 -50.95 71.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.434 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 10.3 mt -55.0 -25.97 33.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.432 ' CA ' HD13 ' A' ' 77' ' ' LEU . . . -86.26 -59.12 2.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.57 -59.81 4.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 4.8 mpt_? -73.99 -12.2 60.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.26 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.434 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 71.49 -142.72 34.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.96 122.07 24.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.7 mmt -153.51 175.13 13.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.527 ' HB3' ' CD1' ' A' ' 74' ' ' TRP . 4.0 pm0 -83.27 161.23 21.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.88 -40.43 83.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.55 -38.43 6.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.363 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -50.17 19.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.47 HG22 ' CG1' ' A' ' 7' ' ' VAL . 17.0 mt -53.04 -51.43 38.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 28' ' ' THR . 51.9 p -55.3 -42.01 73.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -58.95 -44.97 91.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.0 m -44.87 -47.69 11.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.465 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -106.01 25.43 10.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LEU . 1.2 t30 37.12 34.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -85.4 162.78 47.35 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.44 20.3 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.58 1.832 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -43.17 -52.59 12.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -74.99 53.56 3.37 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.394 1.734 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -143.06 -44.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.7 mm -77.88 -35.4 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -57.02 -38.57 73.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.98 98.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.2 mtp -73.46 -41.47 63.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.5 mt -61.07 -33.65 73.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.215 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.61 -45.14 69.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.113 . . . . 0.0 110.248 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -61.38 -46.82 88.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mt -59.07 -43.96 91.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -57.39 -51.73 68.25 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.148 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -54.05 -50.12 67.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.979 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 mtt -62.64 -52.83 61.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.45 45.0 0.53 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -100.62 -66.25 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 109.348 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.91 175.69 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.6 m -135.3 155.79 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.18 134.08 33.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' TRP . 24.2 mm -110.65 151.21 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -114.59 152.36 31.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.452 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 2.0 mt-10 -106.65 170.54 7.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.359 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.72 115.07 1.92 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 110.227 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 -162.5 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.794 . . . . 0.0 110.982 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -107.16 161.33 14.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -166.59 115.92 0.66 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.1 m -145.9 151.01 37.16 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.18 126.25 27.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.73 171.98 12.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.53 151.17 7.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.7 m 40.94 80.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.941 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -158.89 151.51 21.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 108.276 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.51 -64.92 1.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.7 t 179.91 100.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.978 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 14.6 p -120.83 147.2 45.5 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 108.284 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.792 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.07 -149.48 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 122.84 59.68 0.2 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -134.05 177.03 8.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 0.728 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.63 138.87 51.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 92.1 m -84.7 149.4 25.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 108.326 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -55.86 161.11 2.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.54 89.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -61.57 133.51 55.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.527 ' CD1' ' HB3' ' A' ' 18' ' ' GLU . 19.6 m0 -98.51 170.96 8.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 108.016 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -124.6 146.86 48.83 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.96 175.53 13.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.432 HD13 ' CA ' ' A' ' 12' ' ' ALA . 17.3 mt -92.9 156.29 17.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.5 tpt85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.4 mtp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.479 0.181 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -46.2 170.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.23 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -177.88 164.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.05 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 8' ' ' ARG . 0.8 OUTLIER -72.83 -37.36 67.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.234 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.3 mp -57.51 -30.55 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -63.55 -53.56 49.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.069 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.463 ' CG2' HG23 ' A' ' 22' ' ' ILE . 6.1 p -68.12 -38.06 79.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 4' ' ' LEU . 18.6 mtt85 -61.41 -39.73 91.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -75.03 -48.02 26.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 14' ' ' ARG . 4.1 mm? -57.32 -46.0 83.68 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.471 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 8.2 mt -54.38 -31.32 54.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.458 ' CB ' HD11 ' A' ' 77' ' ' LEU . . . -86.55 -56.27 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.3 mt -53.69 -59.63 4.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 10' ' ' LEU . 11.2 mmm180 -82.46 2.98 30.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.471 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 57.9 -147.46 37.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.09 122.05 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.743 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 23.6 mmt -154.31 175.36 13.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 7.2 tp10 -86.43 153.63 21.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.404 ' N ' ' HG3' ' A' ' 18' ' ' GLU . . . -63.45 -47.41 81.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.75 -38.06 3.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -71.74 -51.77 21.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.463 HG23 ' CG2' ' A' ' 7' ' ' VAL . 11.7 mt -58.93 -43.37 88.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 28' ' ' THR . 80.0 p -57.95 -40.96 81.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -44.9 88.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.325 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.3 m -45.99 -45.52 15.82 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.501 1.126 . . . . 0.0 110.483 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.447 ' CD2' ' O ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -100.38 23.19 10.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' LEU . 1.8 m-20 39.66 29.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -85.04 162.54 49.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.408 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 137.83 22.43 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.393 1.733 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.517 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -48.94 -50.49 61.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.328 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.5 Cg_endo -74.95 52.4 3.03 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 111.056 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.0 tpt -145.33 -44.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.9 mm -79.27 -35.55 17.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -59.13 -43.5 91.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.72 -46.83 86.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -49.68 75.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.561 HD12 ' CD1' ' A' ' 75' ' ' TRP . 20.3 mt -54.09 -43.85 70.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.235 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -45.5 87.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.125 . . . . 0.0 110.245 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -60.67 -48.69 80.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.3 mt -57.81 -45.35 86.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.596 1.185 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -54.22 -50.16 67.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.8 t -54.05 -48.67 70.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.01 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 mtm -64.84 -49.51 70.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 113.35 48.61 0.59 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -100.95 -69.16 0.78 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 0.739 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.99 178.51 6.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.6 m -135.64 157.1 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.435 ' HD3' ' CZ2' ' A' ' 75' ' ' TRP . 0.1 OUTLIER -86.99 139.41 30.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 74' ' ' TRP . 3.7 mm -117.51 151.78 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -113.38 151.55 31.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.403 1.065 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -100.38 172.18 7.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -39.61 110.45 0.63 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 110.245 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -162.23 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.779 . . . . 0.0 110.984 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.45 21.54 2.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.601 1.188 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.81 -100.3 0.49 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.511 1.132 . . . . 0.0 111.083 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 74.98 152.62 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -95.22 154.52 17.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.3 136.13 27.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.92 -109.51 0.43 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.125 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.04 86.01 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 110.018 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.86 -62.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 108.261 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.86 165.05 9.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.58 168.66 12.85 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.549 1.156 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.5 m -60.0 149.86 72.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.284 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.501 1.79 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -128.67 -150.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -154.81 -63.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.566 1.166 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.54 135.52 11.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 61.21 91.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.4 p -93.49 160.65 14.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 108.368 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -54.32 160.91 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.22 83.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.203 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.86 135.93 37.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.174 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' ILE . 19.4 m0 -100.92 172.02 7.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.999 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.561 ' CD1' HD12 ' A' ' 37' ' ' LEU . 95.4 m95 -125.78 147.92 49.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 108.014 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.98 166.73 32.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.458 HD11 ' CB ' ' A' ' 12' ' ' ALA . 33.7 mt -82.57 156.42 23.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.3 tpt85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.542 0.211 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.513 ' CB ' ' CD1' ' A' ' 26' ' ' LEU . . . -56.84 -167.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 p -146.65 165.39 29.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.402 HD11 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -62.86 -34.51 77.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.2 mm -60.8 -35.12 62.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.36 -54.71 36.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.462 HG21 ' CG2' ' A' ' 22' ' ' ILE . 7.3 p -65.42 -36.93 78.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -67.92 -48.39 66.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.4 ' OD1' ' CD2' ' A' ' 13' ' ' LEU . 17.7 t0 -59.12 -50.38 74.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 14' ' ' ARG . 1.4 mm? -58.95 -51.05 71.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.46 ' CD2' HD13 ' A' ' 22' ' ' ILE . 11.8 mt -55.77 -25.36 40.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.464 ' CB ' HD12 ' A' ' 77' ' ' LEU . . . -86.92 -59.68 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' CD2' ' OD1' ' A' ' 9' ' ' ASP . 7.1 mp -57.73 -60.27 3.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.545 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -74.38 -7.75 53.94 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 67.28 -141.68 39.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' CB ' ' HB2' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -69.03 137.48 53.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 110.319 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 45.1 tpp -176.04 160.39 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -77.05 165.09 25.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.42 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . . . -68.18 -37.5 81.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.64 -37.86 2.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -52.17 9.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.462 ' CG2' HG21 ' A' ' 7' ' ' VAL . 8.6 mt -54.22 -50.9 52.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' THR . 59.5 p -55.27 -41.56 72.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -45.42 90.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.7 m -50.02 -45.42 51.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 110.424 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.513 ' CD1' ' CB ' ' A' ' 2' ' ' ALA . 0.1 OUTLIER -103.32 20.81 17.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' LEU . 2.1 t30 38.84 32.23 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.434 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -83.49 163.19 50.84 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.361 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.426 ' N ' HG21 ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.98 137.67 22.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 111.038 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -45.34 -52.22 22.75 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -75.05 52.7 3.14 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.575 1.829 . . . . 0.0 111.059 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.8 tpt -142.77 -47.97 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.041 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.8 mm -74.41 -37.56 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.241 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -53.15 -41.61 65.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.15 -47.12 86.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.98 -49.97 72.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.0 mt -54.38 -40.37 68.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -42.49 96.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -60.73 -50.55 73.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 mt -60.01 -39.03 84.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.366 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.52 -50.76 68.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.235 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 t -53.81 -45.84 70.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.005 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.3 mtp -70.9 -47.55 58.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.963 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.46 47.09 0.88 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 0.0 111.058 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -102.07 -43.35 5.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.589 0.817 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.37 176.74 5.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.4 m -133.37 153.23 36.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -83.48 139.05 33.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 74' ' ' TRP . 3.6 mm -119.52 151.33 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -115.11 152.83 31.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.3 171.69 8.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -46.34 151.41 0.98 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.554 1.818 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -174.61 169.23 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 109.242 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 159.25 148.67 5.28 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.05 -55.21 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -91.89 174.48 7.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.6 m -152.73 -59.75 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.027 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.81 161.91 35.33 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 111.052 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 m -62.04 130.91 47.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.797 . . . . 0.0 110.005 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -171.87 124.84 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 108.35 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp 63.45 165.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.3 m -51.83 151.72 3.33 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.619 1.199 . . . . 0.0 109.986 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.45 117.31 36.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -162.23 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.791 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -124.14 106.46 10.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.23 93.69 1.22 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 169.88 9.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 67.35 142.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.3 p -90.91 155.74 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 108.344 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 71' ' ' LEU . 4.3 mm? -52.52 162.32 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 89.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -73.56 134.52 43.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.442 ' N ' ' O ' ' A' ' 49' ' ' ILE . 17.5 m0 -99.77 172.02 7.52 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -123.71 148.82 46.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.424 ' HB2' ' CB ' ' A' ' 16' ' ' ARG . . . -152.74 174.09 14.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.464 HD12 ' CB ' ' A' ' 12' ' ' ALA . 16.0 mt -90.05 158.76 17.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 mtt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.503 0.192 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.23 -178.2 4.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.222 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 p 172.36 162.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 109.96 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -37.98 79.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.404 ' N ' HD13 ' A' ' 5' ' ' ILE . 5.8 mm -53.82 -41.44 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.417 ' NE2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -58.29 -49.9 75.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.462 ' CG1' HG21 ' A' ' 22' ' ' ILE . 78.0 t -68.92 -46.06 79.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -58.17 -51.15 70.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -56.56 -51.28 69.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.386 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 14' ' ' ARG . 1.3 mm? -60.04 -51.44 69.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.442 ' CD2' HD11 ' A' ' 22' ' ' ILE . 9.8 mt -55.24 -25.02 30.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.372 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.467 ' HB3' ' CD1' ' A' ' 77' ' ' LEU . . . -87.12 -59.25 2.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.373 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.19 -60.4 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.233 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.506 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 4.5 mpt_? -72.66 -8.75 56.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.42 -139.47 45.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.569 1.168 . . . . 0.0 111.053 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.08 121.39 15.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.757 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -161.18 147.7 14.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 4.0 tp10 -63.38 153.73 34.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.605 1.191 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.419 ' N ' ' HG3' ' A' ' 18' ' ' GLU . . . -63.73 -42.92 97.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.98 -39.32 4.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -51.39 12.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.462 HG21 ' CG1' ' A' ' 7' ' ' VAL . 3.3 mt -55.06 -53.72 31.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 p -54.17 -44.64 71.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -44.99 73.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.8 m -44.73 -37.37 3.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.449 ' C ' ' N ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -113.79 35.19 4.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 26' ' ' LEU . 13.1 t-20 39.71 30.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.449 ' N ' ' C ' ' A' ' 26' ' ' LEU . 22.5 m -83.16 145.38 48.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.04 136.33 20.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.472 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -39.71 -53.11 4.67 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 17.9 Cg_endo -75.0 53.76 3.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.541 1.811 . . . . 0.0 110.945 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.98 -44.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.7 mm -76.52 -33.16 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 109.244 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -56.01 -40.39 73.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.365 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.58 -47.22 86.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.243 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -43.19 94.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.4 mt -59.24 -45.64 90.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -43.13 68.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -56.52 -49.13 75.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mt -60.39 -41.91 94.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.3 -50.12 74.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -47.11 71.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.2 mtp -70.21 -45.34 66.77 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.501 1.126 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.26 47.46 0.93 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -102.45 -56.63 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.374 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.19 173.89 7.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.9 m -135.73 157.21 38.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.38 139.18 32.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' TRP . 33.8 mm -117.28 152.08 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -116.26 151.97 34.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.57 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 1.6 mt-10 -107.53 170.04 8.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.53 116.6 1.11 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 110.361 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 111.061 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -115.74 148.52 39.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.344 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -140.21 148.75 20.34 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.467 1.105 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 178.22 159.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.44 118.58 23.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.6 m -96.52 142.88 28.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 157.24 63.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.76 124.46 49.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 109.991 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.8 m -56.21 -62.86 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 108.375 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -136.51 115.96 12.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.32 140.93 4.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.4 p -61.91 149.35 85.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 108.347 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.565 1.824 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.49 -149.89 0.43 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.447 1.092 . . . . 0.0 110.233 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 177.0 -91.75 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.095 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt 52.9 175.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 109.229 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.65 168.89 11.44 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.2 p -73.4 156.15 38.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 108.282 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.18 161.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.1 90.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.372 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -63.33 133.51 54.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.57 ' CZ2' ' CD ' ' A' ' 51' ' ' GLU . 21.7 m0 -97.94 171.51 8.23 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -124.53 147.31 48.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.17 178.31 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 12' ' ' ALA . 10.5 mt -92.14 167.4 12.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.361 179.921 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.439 0.161 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.08 141.27 8.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.226 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 p -170.89 163.78 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -37.33 72.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.409 ' N ' HD11 ' A' ' 5' ' ' ILE . 5.5 mm -55.04 -42.57 65.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.168 . . . . 0.0 109.246 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.4 -53.15 61.6 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.545 ' CG2' ' CG2' ' A' ' 22' ' ' ILE . 17.7 t -65.73 -47.16 86.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -55.07 -40.57 70.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.07 -46.5 34.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 14' ' ' ARG . 2.2 mm? -56.75 -51.07 70.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.404 ' HB3' ' CD2' ' A' ' 77' ' ' LEU . 9.0 mt -56.05 -24.97 42.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.43 ' CA ' HD13 ' A' ' 77' ' ' LEU . . . -86.67 -59.14 2.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 mp -56.96 -59.74 4.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.229 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.483 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 5.1 mpt_? -73.66 -10.01 59.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.9 -148.19 51.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 117.94 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 110.229 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.7 mmt -154.17 162.5 41.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.566 ' HB3' ' CD1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -68.3 156.19 38.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.31 -46.01 78.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.61 -37.2 2.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.447 ' N ' ' OE1' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -70.2 -49.47 49.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.545 ' CG2' ' CG2' ' A' ' 7' ' ' VAL . 5.1 mt -59.3 -47.68 89.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.2 p -55.05 -42.08 72.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.045 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -61.99 -46.57 88.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.24 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.0 m -47.37 -33.05 5.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.404 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -115.75 24.03 11.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' LEU . 3.3 t30 36.91 34.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -89.01 162.29 38.35 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.428 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.415 ' N ' HG21 ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.05 139.72 24.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -48.04 -52.04 43.64 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.1 Cg_endo -74.98 53.23 3.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.04 -49.15 0.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.7 mm -72.3 -35.28 51.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -56.49 -41.11 76.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.229 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.04 -46.61 87.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -45.52 87.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.056 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.417 HD12 ' CD1' ' A' ' 75' ' ' TRP . 24.8 mt -55.19 -40.35 70.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -46.75 87.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -60.0 -48.96 79.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.8 mt -60.61 -41.71 95.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.21 -50.34 73.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t -53.97 -49.99 67.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.1 . . . . 0.0 109.974 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.3 mtt -63.01 -45.39 92.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.73 46.62 0.83 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.14 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -102.94 -64.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.55 178.25 6.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.2 m -139.38 156.25 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -85.99 139.19 31.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 74' ' ' TRP . 34.1 mm -117.29 151.02 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -114.1 150.75 33.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -100.28 171.67 7.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.229 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -38.6 99.07 0.18 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.392 1.057 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' GLU . 18.3 Cg_endo -74.97 -162.44 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.558 1.82 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -142.15 155.45 45.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -149.4 -109.33 0.5 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.564 1.165 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 85.0 m 61.39 159.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.1 -62.75 1.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.362 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.9 t 70.87 -62.51 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.04 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 56.28 94.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.098 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.407 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 1.2 m -148.25 100.46 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 60' ' ' SER . 16.0 p 41.17 43.84 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.33 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 76.44 139.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 m -102.16 118.83 37.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.22 116.08 0.28 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 108.344 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.468 1.773 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.08 75.88 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 45.6 95.6 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.548 1.155 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.1 146.85 45.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.362 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.46 122.53 14.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.9 p -49.35 159.09 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 108.313 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 71' ' ' LEU . 4.2 mm? -57.44 162.49 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.54 90.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -64.2 138.12 58.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.566 ' CD1' ' HB3' ' A' ' 18' ' ' GLU . 14.6 m0 -102.71 170.95 7.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.008 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.417 ' CD1' HD12 ' A' ' 37' ' ' LEU . 94.3 m95 -123.42 147.09 47.47 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.02 177.24 11.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.43 HD13 ' CA ' ' A' ' 12' ' ' ALA . 10.5 mt -99.19 159.12 15.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.437 0.16 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.95 156.57 34.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 p 178.43 165.05 0.78 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.531 1.144 . . . . 0.0 109.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.34 -37.65 72.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.5 mm -52.39 -42.27 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 109.351 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -52.92 63.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.579 ' CG2' ' CG2' ' A' ' 22' ' ' ILE . 14.9 t -66.16 -46.97 86.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -47.24 79.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -61.99 -51.04 69.65 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 14' ' ' ARG . 3.3 mm? -59.18 -49.08 79.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.469 ' CD2' HD11 ' A' ' 22' ' ' ILE . 6.4 mt -50.85 -28.82 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.446 ' CB ' ' CD1' ' A' ' 77' ' ' LEU . . . -86.13 -58.64 2.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.1 mt -52.93 -60.17 3.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -76.55 -9.21 58.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.449 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 66.96 -146.22 47.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.459 ' HB3' ' CB ' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -70.58 120.67 16.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 0.742 . . . . 0.0 110.252 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 16' ' ' ARG . 26.2 mmt -155.45 175.49 13.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 5.0 tp10 -81.53 146.41 30.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' A' ' 18' ' ' GLU . . . -60.47 -42.71 96.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.383 1.052 . . . . 0.0 109.301 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.94 -37.99 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -74.91 -49.07 21.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.579 ' CG2' ' CG2' ' A' ' 7' ' ' VAL . 7.0 mt -55.79 -46.03 79.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 p -57.63 -48.31 79.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.77 -44.88 74.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.286 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 22' ' ' ILE . 81.6 m -48.01 -33.29 7.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.405 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.451 ' C ' ' N ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -116.22 33.46 5.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' LEU . 44.3 t-20 39.16 30.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.471 HG22 ' CD1' ' A' ' 33' ' ' ILE . 5.8 m -87.2 146.45 40.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.0 135.1 18.63 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.389 1.731 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.476 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -38.78 -52.94 3.55 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.241 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.05 53.06 3.24 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.458 ' HB3' ' CG2' ' A' ' 28' ' ' THR . 0.3 OUTLIER -146.86 -44.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 111.017 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.471 ' CD1' HG22 ' A' ' 28' ' ' THR . 32.3 mm -75.42 -35.59 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -53.54 -39.55 64.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.93 -46.27 82.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -48.31 73.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.072 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 75' ' ' TRP . 21.5 mt -56.61 -38.03 71.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -33.8 76.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -45.17 40.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 49.8 mt -61.18 -38.94 88.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.79 -51.31 70.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.26 -46.95 72.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mtt -63.1 -51.14 67.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.41 47.32 1.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -102.05 -56.54 2.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.75 170.84 9.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.3 m -124.73 155.83 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -91.15 136.99 32.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 74' ' ' TRP . 42.6 mm -118.91 152.21 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -120.76 149.81 41.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.24 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 52' ' ' GLU . 1.6 mt-10 -102.12 171.92 7.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 51' ' ' GLU . 5.2 mt-10 -38.51 101.18 0.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -162.45 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.521 1.8 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.01 161.02 20.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.73 119.46 0.53 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.73 165.48 16.03 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.54 121.44 41.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 t 62.34 121.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.515 1.134 . . . . 0.0 109.913 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.66 139.74 3.7 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.7 t -119.14 128.83 54.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 0.738 . . . . 0.0 109.966 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.3 t -72.69 -67.7 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.7 -62.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.82 -58.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 32.0 p -131.97 156.68 79.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 108.326 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 110.987 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 pm0 -119.5 -149.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -101.6 -106.19 2.92 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt 63.96 149.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 0.723 . . . . 0.0 109.281 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -41.23 140.21 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.2 p -90.21 159.04 16.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 108.248 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.63 161.56 3.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 87.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.07 136.65 56.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' ILE . 18.6 m0 -100.58 169.82 8.79 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.472 ' CD1' HD11 ' A' ' 37' ' ' LEU . 93.2 m95 -133.74 148.02 51.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 107.995 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 16' ' ' ARG . . . -155.54 172.57 18.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.446 ' CD1' ' CB ' ' A' ' 12' ' ' ALA . 9.5 mt -86.73 156.05 20.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.427 0.156 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.28 131.72 1.55 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.442 1.089 . . . . 0.0 109.4 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 p -176.34 162.73 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.958 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.78 -42.17 78.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 109.224 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.7 mm -56.85 -41.42 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.29 -53.23 60.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.462 ' CG1' HG22 ' A' ' 22' ' ' ILE . 24.4 t -66.9 -47.15 83.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -55.5 -49.51 72.37 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -56.42 -51.28 68.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.341 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' ARG . 2.5 mm? -61.23 -51.09 70.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.44 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 5.5 mt -51.62 -29.74 18.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.064 . . . . 0.0 109.232 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' N ' HD13 ' A' ' 77' ' ' LEU . . . -86.43 -57.73 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.4 mt -53.36 -60.37 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.542 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -76.72 -8.54 57.48 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 65.36 -154.85 50.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.433 1.083 . . . . 0.0 110.997 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HB3' ' CB ' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -63.0 117.56 6.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 110.325 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 30.6 mmm -150.94 175.41 12.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 111.003 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 19' ' ' ALA . 13.8 tp10 -72.2 140.17 48.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HB1' ' CD1' ' A' ' 37' ' ' LEU . . . -56.38 -49.36 74.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.97 -39.92 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -43.08 87.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.462 HG22 ' CG1' ' A' ' 7' ' ' VAL . 7.0 mt -61.45 -51.76 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 p -55.75 -45.46 78.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -44.85 72.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.438 ' CG2' ' HG ' ' A' ' 10' ' ' LEU . 68.3 m -44.25 -37.17 3.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.382 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -115.1 36.38 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.1 t30 39.29 31.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.467 HG21 ' CD1' ' A' ' 33' ' ' ILE . 3.4 m -84.45 146.81 48.21 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.179 . . . . 0.0 110.326 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 28' ' ' THR . 18.6 Cg_endo -74.9 134.09 17.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.476 1.777 . . . . 0.0 111.032 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.474 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.9 OUTLIER -38.13 -52.84 3.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.0 53.21 3.27 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.446 1.761 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.466 ' HB3' ' CG2' ' A' ' 28' ' ' THR . 4.6 tpt -146.6 -44.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.467 ' CD1' HG21 ' A' ' 28' ' ' THR . 25.0 mm -75.72 -34.54 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -53.12 -34.86 58.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.143 . . . . 0.0 109.25 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.33 -47.26 74.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.273 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.43 -50.74 70.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.499 HD12 ' CD1' ' A' ' 75' ' ' TRP . 8.4 mt -53.94 -41.77 68.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -34.21 68.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -69.91 -46.44 65.38 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 110.344 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.5 mt -59.43 -43.39 93.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -50.14 68.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -53.92 -45.55 71.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.58 -46.46 66.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.43 45.93 1.38 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -102.32 -53.49 2.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.384 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.42 170.46 9.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.4 m -133.79 157.68 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.407 ' HD3' ' CH2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -91.32 138.46 31.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.453 ' CD1' ' HB2' ' A' ' 76' ' ' ALA . 4.3 mp -120.75 147.29 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -109.6 152.24 25.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.54 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 0.5 OUTLIER -113.49 168.86 9.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.04 115.7 0.95 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.519 1.799 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.63 166.3 11.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -111.15 80.78 0.28 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 28.4 p -127.33 -175.14 3.36 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.512 ' C ' ' CD2' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -162.07 149.71 14.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.087 . . . . 0.0 109.376 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.22 -56.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 58.13 115.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.101 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.66 171.46 5.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 110.008 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.28 163.44 34.46 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.515 1.134 . . . . 0.0 108.265 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 70.14 -70.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 76.1 p -45.47 128.2 7.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -171.1 100.0 0.41 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 108.26 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.81 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -121.59 105.88 10.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.95 69.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.088 . . . . 0.0 110.958 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -87.98 176.39 7.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -172.68 103.6 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 11.6 m -93.89 162.29 13.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 108.274 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.56 161.54 2.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.48 86.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.24 131.89 49.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.54 ' CZ2' ' CD ' ' A' ' 51' ' ' GLU . 44.5 m0 -89.41 165.15 14.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 107.984 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.499 ' CD1' HD12 ' A' ' 37' ' ' LEU . 96.3 m95 -121.55 150.87 41.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 107.988 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 16' ' ' ARG . . . -153.92 174.57 14.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.401 HD13 ' N ' ' A' ' 12' ' ' ALA . 21.9 mt -98.79 155.4 17.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.528 0.204 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 3' ' ' SER . . . -56.13 -169.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 2' ' ' ALA . 3.6 p 161.76 165.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.994 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 40' ' ' LEU . 2.1 mm? -66.96 -41.58 86.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.1 mp -49.31 -39.41 13.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.537 1.148 . . . . 0.0 109.241 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -46.49 86.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.267 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.473 ' CG1' HG21 ' A' ' 22' ' ' ILE . 49.8 t -73.38 -47.86 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -53.65 -41.29 66.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.16 -50.6 46.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.455 ' HG ' ' CG2' ' A' ' 25' ' ' THR . 1.5 mm? -58.06 -50.99 71.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.408 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 9.1 mt -55.35 -25.72 36.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.47 ' CB ' HD13 ' A' ' 77' ' ' LEU . . . -86.4 -59.04 2.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -57.15 -59.82 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.504 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 4.8 mpt_? -73.55 -11.15 60.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 68.27 -146.46 45.98 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -67.91 120.6 14.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 0.735 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.2 mmt -154.29 175.29 13.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.28 163.04 15.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.32 84.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.87 -38.64 7.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -51.96 10.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.473 HG21 ' CG1' ' A' ' 7' ' ' VAL . 32.2 mt -53.08 -47.15 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.2 p -55.31 -46.2 76.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 110.052 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -57.4 -45.63 84.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.455 ' CG2' ' HG ' ' A' ' 10' ' ' LEU . 58.3 m -45.76 -40.02 8.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -110.92 24.84 12.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.237 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER 37.69 33.2 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -86.68 162.51 44.62 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 110.441 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.76 19.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.4 OUTLIER -44.78 -51.66 21.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.6 Cg_endo -74.88 53.2 3.21 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.525 1.802 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.5 tpp -143.8 -49.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 110.999 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.4 mm -71.39 -32.68 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -57.28 -37.98 73.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.15 -46.18 71.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -50.65 69.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.068 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.6 mt -53.89 -40.57 66.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -42.92 92.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.246 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -58.51 -52.55 65.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.479 ' CD1' HD11 ' A' ' 4' ' ' LEU . 26.8 mt -52.51 -44.84 65.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.16 -53.61 51.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -53.91 -45.73 71.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.054 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mtt -66.73 -47.76 71.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.85 43.77 1.5 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.131 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -101.08 -54.62 2.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.23 173.67 7.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.6 m -133.47 157.53 42.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.07 139.19 31.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' TRP . 29.6 mm -117.01 150.41 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.39 161.47 15.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.33 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.15 172.04 7.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -44.74 103.25 0.33 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.57 1.826 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.6 t70 60.34 153.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 173.82 109.45 0.23 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.7 164.17 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -75.48 160.79 29.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.565 1.166 . . . . 0.0 109.356 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.4 t -71.99 -57.49 4.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 54.94 76.12 0.21 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.1 t -91.92 150.44 21.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.422 0.719 . . . . 0.0 110.023 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.1 71.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 108.224 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.49 167.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.5 p -56.66 154.69 8.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.475 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . 0.1 OUTLIER 171.45 -56.31 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.28 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.475 ' HD3' ' CB ' ' A' ' 64' ' ' CYS . 18.4 Cg_endo -74.98 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.04 -156.38 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.69 96.53 0.44 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 176.81 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.779 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.3 -179.17 7.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.2 p -88.94 159.97 17.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.322 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -54.79 160.88 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.93 90.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.445 1.091 . . . . 0.0 110.271 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -60.06 139.73 57.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ILE . 15.0 m0 -104.02 171.71 7.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -123.81 148.74 46.44 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.78 176.54 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.47 HD13 ' CB ' ' A' ' 12' ' ' ALA . 20.0 mt -94.23 163.32 13.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 tpt85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.228 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.51 0.195 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.56 176.26 6.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 p -123.65 157.64 33.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.947 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.446 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -73.93 -37.66 64.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.1 mp -52.45 -36.01 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.447 ' O ' ' CD2' ' A' ' 10' ' ' LEU . 1.4 mt-30 -58.63 -53.1 62.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.472 HG23 ' CG2' ' A' ' 22' ' ' ILE . 53.0 t -66.79 -48.19 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -53.41 -46.75 69.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.71 -50.95 70.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.461 HD12 ' CG ' ' A' ' 14' ' ' ARG . 4.2 mm? -58.79 -48.73 80.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.43 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 9.2 mt -55.41 -27.62 48.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.51 -59.11 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.34 -58.29 7.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.224 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' CG ' HD12 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -82.86 7.69 14.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 110.352 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 51.07 -140.55 22.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.58 121.56 19.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 110.273 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.4 mmm -148.92 175.46 11.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.95 159.28 23.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . . . -67.9 -40.24 83.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.46 -39.65 48.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -41.68 77.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.112 . . . . 0.0 110.347 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.472 ' CG2' HG23 ' A' ' 7' ' ' VAL . 19.2 mt -60.07 -47.67 90.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 28' ' ' THR . 43.3 p -60.01 -39.84 87.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.957 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -44.59 95.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.441 ' CG2' ' HG ' ' A' ' 10' ' ' LEU . 4.4 m -47.88 -46.24 31.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 110.408 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -108.56 22.57 15.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER 37.91 32.43 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -80.01 163.06 59.74 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 134.98 18.49 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.441 1.759 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -44.01 -52.0 16.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.09 53.93 3.53 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.09 -47.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.41 ' CD1' HG23 ' A' ' 28' ' ' THR . 19.3 mm -74.3 -35.51 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -53.94 -36.86 63.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.84 -47.06 82.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -49.27 72.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.51 HD21 ' CG ' ' A' ' 75' ' ' TRP . 21.7 mt -54.13 -38.26 65.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -47.57 79.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.86 -49.23 77.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.446 HD11 ' CD2' ' A' ' 4' ' ' LEU . 56.6 mt -56.96 -46.91 81.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.73 -51.7 68.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -54.01 -48.87 70.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 0.0 109.941 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 mtp -66.33 -42.36 88.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.26 45.12 1.38 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.483 1.114 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -99.86 -63.06 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 0.81 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.11 175.32 6.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.165 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.35 155.71 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.404 ' CD ' ' CH2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -85.83 139.13 31.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 74' ' ' TRP . 21.5 mm -117.65 152.01 19.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -117.97 152.5 35.35 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -103.62 168.3 9.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.37 124.7 79.36 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.157 . . . . 0.0 110.347 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.5 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.431 1.753 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.45 163.05 27.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.4 72.6 0.09 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 32.0 p -140.64 158.08 44.51 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.39 114.41 21.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.4 m -113.47 144.7 42.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.65 88.23 0.07 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.5 p -154.2 163.8 39.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 109.913 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.0 t -106.86 97.89 7.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 108.302 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.51 111.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 0.0 109.391 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 m 177.76 -56.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -44.47 143.75 1.95 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 108.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.509 1.794 . . . . 0.0 111.04 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 67' ' ' GLY . 4.9 pm0 -123.56 -149.61 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.358 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.401 ' N ' ' CG ' ' A' ' 66' ' ' GLU . . . 110.2 123.35 4.56 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.383 1.052 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 112.97 24.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -174.98 138.08 0.44 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.1 p -81.81 157.18 24.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 108.263 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.16 160.89 0.69 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 91.65 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.07 143.91 54.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' ILE . 15.9 m0 -105.1 171.37 7.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.51 ' CG ' HD21 ' A' ' 37' ' ' LEU . 95.6 m95 -124.59 147.78 48.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 108.002 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.03 169.33 24.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.0 mt -86.06 156.39 20.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mtt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.463 0.173 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.95 142.75 2.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 p -179.85 168.28 1.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.064 . . . . 0.0 110.049 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -36.72 84.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 mm -65.41 -34.06 67.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.13 -53.76 50.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.474 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . 5.1 p -64.86 -37.39 80.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -67.16 -52.95 35.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -55.89 -49.24 73.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.23 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 14' ' ' ARG . 1.6 mm? -60.91 -48.08 83.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.492 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 10.0 mt -54.24 -29.51 46.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' N ' HD12 ' A' ' 77' ' ' LEU . . . -86.82 -55.84 3.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.3 mt -55.58 -60.58 3.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.543 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -78.02 -7.44 56.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 70.29 -155.13 52.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.463 1.102 . . . . 0.0 111.058 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 138.56 57.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 0.792 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.419 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 45.0 tpp -177.17 158.35 1.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.553 ' HB3' ' CD1' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -69.45 153.58 43.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.252 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.64 -38.79 90.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.7 -37.69 6.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -50.82 12.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.379 1.049 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.474 ' CG2' ' HA ' ' A' ' 7' ' ' VAL . 5.7 mt -55.72 -38.0 49.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' THR . 81.2 p -62.23 -49.63 74.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.95 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -44.57 80.12 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 m -44.83 -45.85 10.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.443 ' C ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -104.4 30.99 4.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 109.263 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' LEU . 19.2 t30 39.11 30.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -86.74 151.27 52.34 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.428 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.443 ' N ' HG21 ' A' ' 28' ' ' THR . 18.1 Cg_endo -74.95 133.15 16.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.483 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -38.43 -52.57 3.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -74.99 54.14 3.55 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.524 1.802 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.31 -46.32 0.22 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.173 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.2 mm -76.49 -38.48 31.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.357 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -52.19 -38.01 56.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.8 91.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.363 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -48.96 68.76 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.2 mt -56.22 -36.43 68.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -37.12 84.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.24 -45.66 62.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.6 mt -60.59 -41.75 95.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.59 -50.75 71.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -54.04 -52.51 60.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.1 mtt -59.93 -45.89 91.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.47 45.58 2.12 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -98.7 -49.37 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.83 175.92 6.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.8 m -131.83 153.7 39.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -86.36 139.14 31.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.8 mm -117.64 151.91 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -110.65 152.15 26.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.94 169.72 10.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.356 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.5 129.25 4.88 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.258 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -162.44 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -121.59 164.91 16.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.77 -78.74 1.39 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 85.7 m 63.23 124.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.38 172.65 12.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.382 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.65 163.76 1.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.043 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -148.79 90.39 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 53.35 81.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.751 . . . . 0.0 110.017 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.27 153.39 4.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 108.299 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.27 107.73 8.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.1 t -159.29 144.57 15.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.381 1.051 . . . . 0.0 110.031 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 2.7 m -136.28 68.7 62.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 108.275 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.037 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 42.77 92.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -103.21 78.96 0.31 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -104.2 177.61 4.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -46.75 165.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.3 m -88.42 152.53 21.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 108.275 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.99 161.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.85 89.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.15 142.22 57.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.368 1.042 . . . . 0.0 110.219 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.553 ' CD1' ' HB3' ' A' ' 18' ' ' GLU . 15.9 m0 -102.87 170.98 7.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 107.982 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -124.64 148.66 47.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 108.007 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.16 178.58 10.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 12' ' ' ALA . 9.5 mt -98.06 155.64 17.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.487 0.184 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.13 -172.28 1.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 p -160.68 166.55 28.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.085 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.2 tp -60.11 -41.77 93.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.371 1.044 . . . . 0.0 109.276 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.5 mp -47.49 -41.92 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.353 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -46.73 86.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.523 ' CG2' ' CG2' ' A' ' 22' ' ' ILE . 99.5 t -72.58 -48.2 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -50.82 -36.01 35.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.08 -49.26 20.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 14' ' ' ARG . 1.5 mm? -59.37 -51.3 70.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.416 ' CD2' HD12 ' A' ' 22' ' ' ILE . 12.2 mt -54.22 -25.04 20.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.428 ' CA ' HD11 ' A' ' 77' ' ' LEU . . . -86.85 -59.48 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.47 -60.12 4.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' LEU . 6.0 mpt_? -71.41 -14.65 62.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.58 -154.84 53.37 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 120.72 12.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 0.737 . . . . 0.0 110.266 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.7 mmt -155.98 175.47 13.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.81 151.82 39.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.94 -40.01 83.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.74 -38.63 4.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.588 1.18 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -68.41 -47.53 67.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.215 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.523 ' CG2' ' CG2' ' A' ' 7' ' ' VAL . 22.4 mt -58.06 -44.67 87.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 28' ' ' THR . 51.3 p -57.39 -43.47 83.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 109.976 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -60.88 -44.88 96.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.5 m -44.78 -47.6 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -105.02 24.96 11.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER 37.94 31.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -84.38 162.49 51.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.35 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.46 21.75 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.498 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -46.08 -51.63 31.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -74.98 53.01 3.2 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.16 -44.45 0.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.964 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.441 HG21 ' CD1' ' A' ' 37' ' ' LEU . 24.2 mm -77.38 -36.9 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -55.03 -42.18 72.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.361 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.15 -46.87 84.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -47.18 77.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.424 1.078 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.441 ' CD1' HG21 ' A' ' 33' ' ' ILE . 21.5 mt -56.58 -37.66 70.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -42.9 98.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -51.03 65.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.6 mt -56.83 -45.04 82.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.91 -50.68 70.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.1 t -54.04 -48.56 70.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.7 mtt -61.2 -54.87 38.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.06 38.04 0.62 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -106.22 -36.64 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.455 ' O ' ' CG1' ' A' ' 47' ' ' VAL . . . -100.46 -179.46 4.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.236 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.455 ' CG1' ' O ' ' A' ' 46' ' ' ALA . 22.0 m -155.19 146.03 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -89.29 138.81 31.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 76' ' ' ALA . 4.1 mp -120.17 152.17 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.607 1.192 . . . . 0.0 109.368 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -110.89 150.65 28.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.509 ' HG3' ' CE2' ' A' ' 74' ' ' TRP . 0.1 OUTLIER -112.11 170.12 8.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.08 120.89 3.73 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.546 1.814 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.62 163.16 7.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.592 1.183 . . . . 0.0 109.274 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.77 -160.02 0.92 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.1 m -98.18 120.38 38.49 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -108.88 172.61 6.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.251 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.02 163.9 26.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.996 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.16 -155.14 30.73 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.603 1.189 . . . . 0.0 111.019 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 62' ' ' LYS . 0.3 OUTLIER 68.44 162.97 0.21 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.458 0.74 . . . . 0.0 110.011 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 78.7 m 67.63 -77.29 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.485 1.115 . . . . 0.0 108.317 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 60' ' ' SER . 9.6 ttpt 81.04 169.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.223 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.5 t 66.73 123.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.73 157.18 34.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 108.36 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.27 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.89 117.55 8.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 110.368 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.95 -67.31 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -58.98 172.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.241 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -98.29 167.88 10.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 95.2 m -65.18 151.92 44.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 108.298 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -50.63 162.91 0.21 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.88 88.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.8 138.83 58.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.509 ' CE2' ' HG3' ' A' ' 51' ' ' GLU . 27.5 m0 -93.89 168.86 10.7 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -122.97 145.03 48.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 107.982 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.471 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . . . -156.29 178.95 9.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.428 HD11 ' CA ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -89.89 152.04 21.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.451 ' HA ' ' CG1' ' A' ' 47' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.527 0.203 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.464 ' CB ' HD11 ' A' ' 26' ' ' LEU . . . -51.84 169.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 p -178.3 162.21 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.006 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.461 ' CD1' HD12 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -67.18 -38.52 85.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.5 mm -63.56 -33.91 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.45 -53.41 55.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.471 ' CG2' HG22 ' A' ' 22' ' ' ILE . 5.6 p -67.78 -36.41 75.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.061 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -67.1 -50.39 61.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -55.95 -49.32 73.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.08 -47.78 83.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.44 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 12.0 mt -58.59 -25.78 62.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.47 ' CB ' HD13 ' A' ' 77' ' ' LEU . . . -86.73 -59.17 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.48 -59.41 5.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.1 mmm-85 -78.99 1.22 24.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.212 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 58.97 -142.59 46.27 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.469 1.106 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -66.65 131.23 45.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.583 0.813 . . . . 0.0 110.23 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.89 152.61 5.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -68.07 160.01 29.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.279 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.41 -39.08 81.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.83 -38.13 3.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -47.23 20.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.471 HG22 ' CG2' ' A' ' 7' ' ' VAL . 8.6 mt -58.05 -44.99 88.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.37 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 97.5 p -56.48 -46.47 80.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 109.974 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -58.1 -45.55 87.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.6 m -45.97 -47.43 16.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.446 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.464 HD11 ' CB ' ' A' ' 2' ' ' ALA . 0.1 OUTLIER -103.49 24.43 11.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LEU . 51.0 t-20 37.92 33.65 0.05 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -87.35 162.68 42.18 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 110.441 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 135.88 19.72 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.506 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -46.28 -50.83 37.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.361 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -75.06 53.36 3.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.1 ttp -145.86 -44.74 0.21 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.466 HG22 ' CD1' ' A' ' 37' ' ' LEU . 25.2 mm -77.41 -35.94 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -55.72 -40.94 73.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.38 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.39 -46.2 87.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.452 ' SD ' ' CD2' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -62.82 -51.53 66.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 33' ' ' ILE . 20.1 mt -53.84 -39.38 65.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -30.97 70.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -53.18 18.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.461 HD12 ' CD1' ' A' ' 4' ' ' LEU . 15.7 mt -54.54 -42.39 70.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.97 -51.27 70.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -53.9 -47.32 71.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.2 mtt -67.54 -43.35 80.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.53 45.44 1.32 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.561 1.163 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -100.53 -55.62 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.741 . . . . 0.0 109.235 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.92 175.91 6.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.0 m -132.01 158.13 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.354 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -91.93 135.83 33.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 74' ' ' TRP . 3.9 mp -118.82 151.89 21.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -110.66 152.38 26.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.597 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 0.3 OUTLIER -115.01 171.89 7.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 51' ' ' GLU . 1.4 mt-10 -38.28 98.85 0.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.524 1.802 . . . . 0.0 111.03 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.3 t70 64.92 163.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.99 -61.3 0.01 OUTLIER Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.448 1.093 . . . . 0.0 110.988 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.5 p -75.11 162.37 28.58 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.38 -63.64 1.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.3 p -170.39 170.19 7.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.954 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -137.01 101.91 0.37 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.48 1.113 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.5 m -120.18 170.29 9.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 0.772 . . . . 0.0 109.985 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 67.93 164.55 0.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 108.319 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.84 157.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.76 121.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.024 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -114.3 156.82 43.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 108.309 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.477 1.777 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -135.07 -166.25 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -176.68 144.02 6.67 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.421 1.075 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -165.57 163.11 19.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.597 0.822 . . . . 0.0 109.337 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 63.21 123.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.6 m -87.34 150.27 23.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 108.238 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -51.5 161.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.59 90.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -59.95 137.74 58.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.597 ' CZ2' ' CD ' ' A' ' 51' ' ' GLU . 31.0 m0 -91.77 169.53 10.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 108.033 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -125.6 148.62 48.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 108.01 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.403 ' HB2' ' CD1' ' A' ' 49' ' ' ILE . . . -155.05 160.25 40.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.47 HD13 ' CB ' ' A' ' 12' ' ' ALA . 30.6 mt -76.06 158.55 31.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.09 . . . . 0.0 109.239 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.47 0.176 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.97 -168.8 2.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 p -158.97 164.7 35.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.996 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 mt -55.7 -35.99 66.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.3 mm -56.21 -41.98 71.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.412 ' NE2' ' CD2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -58.09 -45.05 87.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.472 ' CG1' HG21 ' A' ' 22' ' ' ILE . 60.1 t -74.26 -45.82 46.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.581 1.176 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -59.51 -40.17 86.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -66.89 -46.56 74.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.443 ' HG ' ' CG2' ' A' ' 25' ' ' THR . 2.2 mm? -65.82 -51.37 59.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.481 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 9.3 mt -54.13 -28.38 39.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.415 ' N ' HD11 ' A' ' 77' ' ' LEU . . . -86.77 -58.83 2.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.8 mt -55.01 -61.06 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.542 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -76.33 -7.33 54.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 69.8 -154.52 52.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.435 ' CB ' ' HB3' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -59.97 139.92 57.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -177.21 151.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' OE1' ' CB ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -61.43 158.87 13.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.35 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.418 ' HB3' ' CD1' ' A' ' 37' ' ' LEU . . . -67.73 -40.69 84.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.438 ' CB ' ' OE1' ' A' ' 18' ' ' GLU . . . -43.67 -38.06 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -52.1 15.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.226 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.472 HD12 ' CD2' ' A' ' 11' ' ' LEU . 6.2 mt -52.91 -46.61 52.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.7 p -54.65 -46.62 74.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.046 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.79 -46.35 84.75 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.443 ' CG2' ' HG ' ' A' ' 10' ' ' LEU . 95.2 m -47.67 -34.79 8.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -116.09 24.24 11.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.414 1.071 . . . . 0.0 109.355 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LEU . 4.4 t-20 38.18 31.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -86.65 159.86 51.61 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.415 ' N ' HG21 ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.98 135.37 19.02 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.533 1.807 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -44.33 -51.54 19.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.4 Cg_endo -74.98 53.29 3.28 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.543 1.812 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -145.26 -49.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.9 mm -72.88 -38.4 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -51.85 -37.67 52.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.12 -42.0 72.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.365 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.0 mtt -73.6 -42.61 61.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.418 ' CD1' ' HB3' ' A' ' 19' ' ' ALA . 21.7 mt -60.57 -32.64 71.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -40.67 74.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.264 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -64.88 -48.43 74.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.1 mt -57.6 -41.1 80.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.09 -55.24 30.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.2 t -54.15 -48.44 70.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 mtm -66.34 -47.98 71.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.04 43.88 1.58 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -101.16 -42.81 6.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.15 178.5 5.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.1 m -136.63 155.71 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.7 139.12 30.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.387 1.054 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 74' ' ' TRP . 6.2 mm -116.16 151.89 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -112.83 151.83 29.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.609 1.193 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.54 171.48 8.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -39.62 146.04 0.4 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -137.35 165.91 25.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -117.49 144.39 18.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.4 m -65.41 163.02 16.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -90.52 -62.95 1.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.62 87.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.86 -73.7 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.72 138.88 54.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 0.788 . . . . 0.0 109.93 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 60.7 m -91.71 -62.01 1.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 108.336 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.08 135.91 15.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.02 96.9 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.043 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.89 96.53 0.16 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 108.304 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.528 1.804 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -124.37 -149.32 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 164.29 84.14 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.112 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -64.16 109.97 2.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 0.72 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.45 129.37 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 84.5 m -88.61 150.26 23.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 108.289 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -55.25 160.87 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.08 90.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.18 136.98 58.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' ILE . 17.7 m0 -102.48 169.01 8.94 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -121.24 149.05 43.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 107.995 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.435 ' HB3' ' CB ' ' A' ' 16' ' ' ARG . . . -155.45 178.18 10.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 11' ' ' LEU . 1.5 mp -96.51 159.26 15.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.397 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.6 tpt85 . . . . . 0 C--N 1.323 -0.552 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.53 0.205 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.74 162.08 19.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 p -111.9 155.26 23.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.504 ' CD1' ' CD1' ' A' ' 40' ' ' LEU . 1.7 mm? -61.46 -38.15 86.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.4 mm -62.06 -37.18 77.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.569 ' NE2' ' CD2' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -58.92 -53.98 52.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.3 p -65.96 -36.77 78.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -67.9 -36.09 79.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 110.355 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -75.08 -47.47 28.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.35 -47.84 80.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.499 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 9.9 mt -53.0 -33.0 49.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.458 ' CB ' HD13 ' A' ' 77' ' ' LEU . . . -84.28 -57.91 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.1 mt -51.5 -60.11 3.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.537 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 4.7 mpt_? -78.04 -8.45 58.21 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 68.64 -156.84 53.26 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' O ' ' SD ' ' A' ' 17' ' ' MET . 0.3 OUTLIER -63.0 118.43 7.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 0.74 . . . . 0.0 110.322 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.404 ' SD ' ' O ' ' A' ' 16' ' ' ARG . 25.0 mmt -155.55 175.26 14.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.79 163.24 17.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 110.339 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.93 -37.71 81.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.66 -37.9 6.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.55 1.156 . . . . 0.0 109.361 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -46.47 40.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.46 HG22 ' CD1' ' A' ' 26' ' ' LEU . 11.6 mt -59.71 -55.31 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.8 p -50.0 -35.87 26.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.057 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -49.03 67.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.5 m -62.57 -49.98 73.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.569 ' CD2' ' NE2' ' A' ' 6' ' ' GLN . 20.3 mt -67.12 -10.14 47.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.19 34.54 8.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.463 HG22 ' N ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -113.85 164.62 15.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.463 ' N ' HG22 ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.01 135.2 18.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.966 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.489 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -39.0 -52.47 3.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.4 Cg_endo -74.99 53.87 3.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.418 ' HB3' ' CG2' ' A' ' 28' ' ' THR . 1.6 tpt -144.25 -49.29 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.47 ' CD1' HD13 ' A' ' 26' ' ' LEU . 12.0 mm -73.65 -30.28 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -54.69 -32.32 59.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 109.256 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.17 -46.33 71.03 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.593 1.183 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -49.47 72.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.1 mt -53.66 -36.53 62.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -41.63 96.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -63.91 -53.08 56.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.504 ' CD1' ' CD1' ' A' ' 4' ' ' LEU . 50.4 mt -55.82 -42.16 75.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -58.03 -52.59 64.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -53.87 -46.54 71.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 mtt -62.77 -48.68 78.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.04 47.87 0.98 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -102.5 -59.83 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 0.795 . . . . 0.0 109.349 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.98 -179.6 5.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.6 m -135.25 157.42 40.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.497 ' CD ' ' CH2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -91.48 139.38 30.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.5 mm -117.08 151.63 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -113.5 151.49 31.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.246 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.25 167.92 10.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -42.33 108.14 0.59 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -156.37 150.39 25.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.18 131.98 2.95 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.79 158.05 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -53.57 167.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.1 p -157.75 168.67 26.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.033 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.23 122.11 3.94 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.576 1.173 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t 64.26 139.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.979 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.2 t -85.21 154.28 22.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 108.278 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.85 -63.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.226 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.8 m -68.38 164.65 20.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.999 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -110.83 149.98 41.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 108.295 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.778 . . . . 0.0 110.993 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -126.27 -150.88 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.44 -145.94 11.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -106.82 126.45 52.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 0.777 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -178.06 139.54 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 71.2 m -96.65 149.69 21.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.285 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.401 ' N ' HD21 ' A' ' 71' ' ' LEU . 4.6 mm? -56.92 160.98 3.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.05 90.09 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -61.2 137.59 58.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -104.23 170.27 8.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 108.016 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.497 ' CH2' ' CD ' ' A' ' 48' ' ' ARG . 96.4 m95 -123.67 148.11 46.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 107.965 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.13 178.85 9.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.458 HD13 ' CB ' ' A' ' 12' ' ' ALA . 11.4 mt -99.37 156.77 16.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.597 1.186 . . . . 0.0 110.305 -179.888 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.785 HD21 ' HB3' ' A' ' 36' ' ' MET . 2.7 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 mm -51.85 -28.78 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -63.57 -53.28 54.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.348 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.875 HG23 HG21 ' A' ' 22' ' ' ILE . 6.0 p -65.69 -37.02 78.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -68.57 -47.43 66.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -62.08 -51.33 68.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.471 ' HG ' HG21 ' A' ' 25' ' ' THR . 3.6 mm? -58.37 -42.01 86.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.569 HD22 ' HA ' ' A' ' 76' ' ' ALA . 11.0 mt -58.89 -30.32 67.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.739 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.98 -51.96 5.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.3 mt -58.66 -59.91 4.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' LEU . 9.5 mmm-85 -82.02 3.45 26.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.456 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 57.99 -142.19 44.44 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.21 127.34 32.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.245 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 43.1 tpp -166.97 152.24 7.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.655 ' HG3' ' HB3' ' A' ' 20' ' ' ALA . 1.2 pt-20 -65.34 160.96 20.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.429 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . . . -68.15 -39.17 82.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.655 ' HB3' ' HG3' ' A' ' 18' ' ' GLU . . . -43.64 -38.16 2.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.83 -52.03 14.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.875 HG21 HG23 ' A' ' 7' ' ' VAL . 5.7 mt -56.39 -49.49 76.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 28' ' ' THR . 50.4 p -53.38 -41.54 66.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.053 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -45.09 94.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.471 HG21 ' HG ' ' A' ' 10' ' ' LEU . 54.9 m -48.27 -46.15 35.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.406 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.71 HD11 HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -100.37 21.68 12.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' LEU . 7.7 t-20 39.12 30.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -83.4 163.36 50.31 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.376 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.2 21.44 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.536 1.808 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.495 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -45.97 -51.92 28.93 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.342 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.01 53.42 3.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.559 1.82 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.59 -48.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.71 HD11 HD11 ' A' ' 26' ' ' LEU . 22.6 mm -74.91 -38.38 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -55.2 -42.72 73.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.7 -46.82 86.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.785 ' HB3' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -63.88 -46.51 84.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.543 HD13 ' CD1' ' A' ' 75' ' ' TRP . 20.8 mt -54.21 -39.72 66.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -45.24 94.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.337 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -60.85 -52.38 65.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.545 HD11 HD22 ' A' ' 4' ' ' LEU . 56.3 mt -56.62 -45.21 81.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.13 -50.03 72.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -54.01 -48.02 70.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mtt -62.54 -51.94 65.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.58 46.38 0.62 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -102.46 -59.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.658 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -94.03 173.95 7.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.7 m -131.96 156.14 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.02 137.71 32.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 74' ' ' TRP . 21.6 mm -116.47 149.91 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -115.54 149.95 37.35 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.463 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.74 131.06 47.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.57 ' CD1' ' HB3' ' A' ' 18' ' ' GLU . 30.9 m0 -99.83 171.3 7.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 107.991 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.543 ' CD1' HD13 ' A' ' 37' ' ' LEU . 96.9 m95 -126.52 149.93 49.08 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.658 ' O ' ' HB1' ' A' ' 46' ' ' ALA . . . -155.15 178.99 9.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.739 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 18.9 mt -93.65 162.23 14.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.5 ' N ' HD13 ' A' ' 5' ' ' ILE . 4.6 mm -47.64 -39.02 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.653 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.2 mt-30 -58.28 -51.31 70.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.231 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.067 HG13 HG21 ' A' ' 22' ' ' ILE . 60.7 t -68.15 -48.06 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.17 . . . . 0.0 109.363 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -54.4 -44.94 72.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -65.16 -51.15 62.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.968 ' HG ' HG21 ' A' ' 25' ' ' THR . 4.2 mm? -57.01 -43.36 81.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.672 HD22 ' HA ' ' A' ' 76' ' ' ALA . 7.7 mt -56.53 -31.99 64.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.59 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.28 -55.7 3.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.4 mt -53.75 -59.51 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' LEU . 11.0 mmm180 -82.35 3.56 27.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.363 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.444 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 55.15 -141.76 36.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.431 1.082 . . . . 0.0 110.982 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.521 ' HA ' ' HB2' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -69.52 120.47 15.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 0.77 . . . . 0.0 110.339 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 16' ' ' ARG . 82.6 mmm -152.53 175.51 12.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 6.6 tp10 -91.98 161.81 14.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.67 90.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.98 -40.3 4.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -51.93 15.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.067 HG21 HG13 ' A' ' 7' ' ' VAL . 19.9 mt -54.26 -43.35 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 28' ' ' THR . 13.7 p -59.84 -43.66 94.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.968 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -44.39 97.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.968 HG21 ' HG ' ' A' ' 10' ' ' LEU . 3.7 m -47.26 -45.44 23.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -107.57 23.18 14.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' LEU . 57.1 t30 37.85 32.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -80.02 162.98 60.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.365 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 134.4 17.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.453 1.765 . . . . 0.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.485 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -41.73 -52.26 8.74 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.01 52.25 3.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.3 tpt -142.65 -45.2 0.31 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 111.068 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.716 HD12 HG21 ' A' ' 7' ' ' VAL . 23.2 mm -76.84 -31.29 19.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -61.36 -43.87 98.13 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.7 -45.16 95.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -52.4 61.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.512 ' CD1' HG22 ' A' ' 33' ' ' ILE . 25.6 mt -53.85 -38.53 64.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.95 -35.93 73.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.45 -49.77 51.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.248 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.3 mt -59.37 -41.24 88.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HB2' ' CZ3' ' A' ' 75' ' ' TRP . 1.4 tt0 -63.06 -52.09 64.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.2 t -53.99 -51.16 64.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.1 mtp -62.5 -48.41 79.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.069 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.76 45.73 0.95 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -100.23 -53.59 3.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.652 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -96.14 170.96 8.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.06 152.21 36.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.485 ' C ' HD12 ' A' ' 49' ' ' ILE . 7.0 mtt180 -85.19 139.17 31.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.516 HD11 ' HB3' ' A' ' 76' ' ' ALA . 3.6 mp -119.77 146.17 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -103.68 150.41 24.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.491 ' HG3' ' CE2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 39.9 mt-10 -61.67 139.68 58.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.546 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 38.0 m0 -93.03 169.2 10.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 108.041 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.415 ' CZ3' ' HB2' ' A' ' 41' ' ' GLU . 95.6 m95 -123.56 148.7 46.09 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.672 ' HA ' HD22 ' A' ' 11' ' ' LEU . . . -156.03 179.25 9.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.59 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 5.8 mt -96.76 152.8 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.595 ' CD2' HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.4 mt -55.56 -43.63 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -57.79 -53.07 62.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.971 HG22 ' CG2' ' A' ' 22' ' ' ILE . 46.4 t -65.59 -47.81 84.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.671 HH21 HD22 ' A' ' 40' ' ' LEU . 52.5 mtt180 -53.39 -45.26 69.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.69 -51.11 64.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.524 ' HA ' HD13 ' A' ' 10' ' ' LEU . 1.2 mm? -57.6 -51.1 70.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.799 HD21 HD11 ' A' ' 22' ' ' ILE . 9.2 mt -54.75 -26.37 33.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.524 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.2 -59.14 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 13' ' ' LEU . 3.1 mm? -55.34 -59.7 4.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.495 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 5.0 mpt_? -74.51 -11.61 60.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.367 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.432 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 69.15 -146.1 43.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.444 1.09 . . . . 0.0 110.943 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.409 ' HD3' HG21 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -64.82 125.7 25.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.754 . . . . 0.0 110.288 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.3 mmt -158.19 175.19 14.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.407 ' OE1' ' HA ' ' A' ' 18' ' ' GLU . 6.5 tp10 -91.28 161.7 14.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.381 1.05 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -66.18 -41.15 90.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.89 -39.32 3.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -45.52 26.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.605 1.191 . . . . 0.0 110.278 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.971 ' CG2' HG22 ' A' ' 7' ' ' VAL . 38.1 mt -57.44 -50.12 78.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' THR . 68.1 p -58.63 -38.74 78.7 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.7 -44.81 93.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.592 HG22 HD23 ' A' ' 26' ' ' LEU . 1.1 m -50.73 -45.11 58.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.592 HD23 HG22 ' A' ' 25' ' ' THR . 0.1 OUTLIER -105.55 20.7 18.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 23' ' ' SER . 1.6 t-20 38.84 31.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.45 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -79.73 163.14 59.99 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.95 21.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.478 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -43.13 -53.28 10.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -75.03 53.18 3.27 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.779 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.55 -46.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.638 HD12 HG21 ' A' ' 7' ' ' VAL . 22.7 mm -75.8 -34.51 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -57.44 -42.06 81.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.52 -46.43 83.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -49.95 72.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.534 HD13 ' CD1' ' A' ' 75' ' ' TRP . 28.8 mt -55.1 -40.65 70.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -45.57 92.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.238 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -61.22 -50.25 73.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.671 HD22 HH21 ' A' ' 8' ' ' ARG . 59.6 mt -58.46 -38.93 78.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.36 -52.71 64.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.8 t -55.69 -46.04 77.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.952 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.5 mtt -66.95 -49.38 65.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.31 47.68 0.85 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -100.32 -59.8 1.64 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.535 0.785 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.11 179.35 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.3 m -135.72 157.72 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.94 138.99 30.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.476 ' HA ' HD13 ' A' ' 49' ' ' ILE . 17.3 mm -117.82 151.71 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -111.92 153.62 26.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.287 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.43 139.49 58.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.426 ' HB2' HG22 ' A' ' 49' ' ' ILE . 14.3 m0 -104.0 172.04 7.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.534 ' CD1' HD13 ' A' ' 37' ' ' LEU . 96.5 m95 -123.76 148.8 46.31 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.97 174.13 15.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.601 1.188 . . . . 0.0 109.342 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.524 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 14.8 mt -87.23 157.58 19.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.433 HD23 ' CG1' ' A' ' 7' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.8 mm -62.9 -26.99 42.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.684 ' OE1' HD22 ' A' ' 26' ' ' LEU . 4.2 mt-30 -69.18 -54.67 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.049 HG23 HG21 ' A' ' 22' ' ' ILE . 7.4 p -62.65 -34.94 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.437 ' O ' HD11 ' A' ' 77' ' ' LEU . 3.5 mtp180 -67.94 -41.63 82.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -73.63 -46.13 48.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.544 ' HG ' HG21 ' A' ' 25' ' ' THR . 2.6 mm? -57.44 -49.98 74.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.655 HD11 HD21 ' A' ' 37' ' ' LEU . 12.3 mt -55.95 -26.4 47.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.838 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -85.92 -59.19 2.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 13' ' ' LEU . 3.9 mm? -55.64 -59.81 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.516 ' HD3' HD13 ' A' ' 10' ' ' LEU . 5.4 mpt_? -73.93 -12.19 60.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 69.76 -146.77 44.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -65.81 120.45 13.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 12.4 mmt -153.82 175.23 13.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' OE1' ' CB ' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -92.1 163.86 13.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.57 -38.2 83.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.416 ' CB ' ' OE1' ' A' ' 18' ' ' GLU . . . -48.69 -38.05 20.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -52.17 13.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.049 HG21 HG23 ' A' ' 7' ' ' VAL . 19.9 mt -56.4 -51.44 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.44 ' HB2' HG22 ' A' ' 28' ' ' THR . 93.3 p -53.49 -41.22 66.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -44.64 96.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.069 . . . . 0.0 110.3 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.544 HG21 ' HG ' ' A' ' 10' ' ' LEU . 90.2 m -45.6 -39.58 7.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.684 HD22 ' OE1' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -112.34 25.07 11.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LEU . 1.2 t30 37.75 32.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.265 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -83.31 163.11 51.67 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.441 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.01 19.84 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.442 1.759 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -44.63 -51.89 19.74 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.4 Cg_endo -74.92 53.29 3.26 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.526 1.803 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.87 -46.18 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.406 HD11 HD11 ' A' ' 26' ' ' LEU . 23.1 mm -76.5 -38.27 31.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -53.64 -40.0 65.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.86 -46.52 87.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.39 -49.0 70.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.655 HD21 HD11 ' A' ' 11' ' ' LEU . 20.6 mt -55.86 -38.35 69.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -45.68 88.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -59.03 -49.15 78.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 110.293 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.9 mt -56.63 -43.63 80.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.68 -53.83 53.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 t -53.99 -48.47 70.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.938 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.7 mtt -65.34 -45.67 83.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.39 44.53 1.45 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -100.63 -54.92 2.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.777 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.18 172.77 8.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 109.23 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.1 m -126.61 154.14 36.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -87.57 139.04 30.94 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.592 HG13 ' HB2' ' A' ' 76' ' ' ALA . 23.2 mm -118.33 151.78 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -113.8 152.88 30.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.148 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -60.06 139.86 57.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 110.341 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -103.13 170.76 7.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 107.988 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.527 ' CD1' HD13 ' A' ' 37' ' ' LEU . 95.6 m95 -120.85 151.76 39.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 107.99 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.592 ' HB2' HG13 ' A' ' 49' ' ' ILE . . . -155.8 175.05 14.44 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.838 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 31.8 mt -92.55 157.97 16.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.675 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.82 -33.0 59.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.465 ' O ' HD23 ' A' ' 10' ' ' LEU . 5.3 mt-30 -62.63 -53.4 55.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.04 HG23 HG21 ' A' ' 22' ' ' ILE . 5.2 p -67.38 -38.37 80.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.413 ' HE ' HD22 ' A' ' 4' ' ' LEU . 6.8 mtt180 -64.15 -38.25 90.37 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -75.31 -41.95 55.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.594 1.184 . . . . 0.0 109.247 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.633 HD11 HG21 ' A' ' 25' ' ' THR . 3.3 mm? -63.22 -51.48 66.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.599 1.187 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.76 HD11 HD21 ' A' ' 37' ' ' LEU . 9.1 mt -57.44 -24.45 55.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.471 ' N ' HD11 ' A' ' 77' ' ' LEU . . . -86.43 -59.24 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.244 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 13' ' ' LEU . 4.0 mm? -56.41 -59.92 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.54 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.5 OUTLIER -73.13 -11.45 60.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.88 -149.02 51.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 -61.12 126.01 25.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 0.786 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.444 ' CE ' ' HG3' ' A' ' 21' ' ' GLN . 9.8 tpt -173.76 151.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 0.7 OUTLIER -59.78 156.36 14.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.67 -38.4 83.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.29 -37.66 3.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' HG3' ' CE ' ' A' ' 17' ' ' MET . 0.1 OUTLIER -72.99 -52.52 14.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.04 HG21 HG23 ' A' ' 7' ' ' VAL . 4.4 mt -57.06 -47.36 83.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' THR . 95.9 p -56.18 -39.49 72.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.142 . . . . 0.0 109.977 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.14 -44.94 90.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.633 HG21 HD11 ' A' ' 10' ' ' LEU . 87.7 m -45.03 -47.26 11.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.624 HD11 HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -99.55 23.67 9.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.387 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' LEU . 5.6 t-20 39.1 30.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.451 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -83.91 162.88 51.0 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 137.89 22.18 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.471 1.774 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -46.83 -51.88 35.92 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 110.339 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.6 Cg_endo -74.96 52.96 3.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.801 . . . . 0.0 111.088 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.77 -45.07 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.624 HD11 HD11 ' A' ' 26' ' ' LEU . 31.9 mm -78.24 -37.83 22.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.167 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -56.16 -39.81 72.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.71 -46.67 88.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.83 -47.73 79.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 111.026 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.76 HD21 HD11 ' A' ' 11' ' ' LEU . 21.1 mt -55.37 -41.57 72.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -45.63 93.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.6 1.187 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -60.95 -50.13 74.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.675 HD11 ' CD2' ' A' ' 4' ' ' LEU . 64.7 mt -58.59 -42.21 87.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.96 -50.89 71.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.234 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -53.95 -46.44 71.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.982 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 mtt -64.37 -54.53 31.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.5 40.63 0.49 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -101.57 -64.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.18 173.6 7.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.471 HG11 ' HD2' ' A' ' 78' ' ' ARG . 20.2 m -136.11 157.42 37.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.514 ' HD2' ' CH2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -88.58 139.45 30.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' TRP . 49.7 mm -120.2 152.4 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.389 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.07 161.04 18.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.573 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 2.1 mt-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.334 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -61.45 136.75 58.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.573 ' CZ2' ' CD ' ' A' ' 51' ' ' GLU . 18.5 m0 -95.6 170.06 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 108.07 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.67 ' CG ' HD13 ' A' ' 37' ' ' LEU . 96.2 m95 -124.13 149.52 46.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 108.067 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.26 168.54 26.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.471 HD11 ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -100.51 160.79 14.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.162 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HD2' HG11 ' A' ' 47' ' ' VAL . 5.0 tpt180 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.638 HD23 HD11 ' A' ' 40' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.1 mm -70.31 -27.35 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.62 ' OE1' HD22 ' A' ' 26' ' ' LEU . 2.1 mt-30 -75.82 -53.92 7.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.997 HG23 HG21 ' A' ' 22' ' ' ILE . 6.1 p -62.85 -34.71 67.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 8' ' ' ARG . 6.1 mtp-105 -66.7 -53.69 30.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -55.84 -47.13 77.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.541 HD12 ' HG2' ' A' ' 14' ' ' ARG . 1.4 mm? -61.92 -51.02 69.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.439 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 13.1 mt -56.4 -24.99 48.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.349 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.514 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.91 -59.65 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -58.32 -60.21 4.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.544 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -75.01 -6.65 50.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.439 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 68.24 -150.71 51.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.413 1.071 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.49 139.27 58.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.778 . . . . 0.0 110.335 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 tpt -177.33 148.7 0.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.503 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 0.9 OUTLIER -63.92 147.93 50.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 110.345 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.643 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . . . -59.11 -40.76 86.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.61 -36.89 2.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -77.13 -51.31 11.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 110.251 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.997 HG21 HG23 ' A' ' 7' ' ' VAL . 5.6 mt -54.57 -51.04 54.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.432 ' HB2' HG22 ' A' ' 28' ' ' THR . 28.8 p -50.18 -42.31 51.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.394 1.058 . . . . 0.0 110.029 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.36 -45.55 87.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.226 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.2 m -60.66 -43.76 97.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.473 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.62 HD22 ' OE1' ' A' ' 6' ' ' GLN . 9.3 mt -83.17 6.81 18.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 48.63 51.35 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.462 ' CG2' HG12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -124.84 164.22 32.49 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.4 Cg_endo -74.95 133.64 16.91 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 111.041 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -41.59 -51.52 8.95 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.351 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -75.01 53.91 3.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.782 . . . . 0.0 111.008 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.64 -46.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.462 HG12 ' CG2' ' A' ' 28' ' ' THR . 49.5 mm -75.23 -36.2 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -52.48 -38.07 58.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.73 -47.0 80.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.416 ' SD ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -62.31 -52.36 63.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.643 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 13.6 mt -53.7 -41.03 66.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -42.0 97.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 110.248 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -66.57 -50.79 61.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.638 HD11 HD23 ' A' ' 4' ' ' LEU . 85.0 mt -56.99 -46.13 82.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -50.66 71.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.248 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.8 t -54.37 -45.79 72.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 110.015 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 mtp -69.96 -45.92 66.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.7 46.78 1.17 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.2 -43.9 5.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.88 172.0 7.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.0 m -127.4 158.1 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.22 139.12 30.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.17 . . . . 0.0 110.272 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.595 HG13 ' HB2' ' A' ' 76' ' ' ALA . 5.0 mm -118.82 147.24 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -110.97 150.68 28.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.263 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.18 . . . . 0.0 110.321 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -59.98 135.53 57.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.503 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 28.2 m0 -100.26 172.13 7.36 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.471 ' HB3' HD22 ' A' ' 37' ' ' LEU . 96.7 m95 -124.97 147.72 48.77 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.595 ' HB2' HG13 ' A' ' 49' ' ' ILE . . . -153.59 178.54 9.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.514 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 6.8 mt -97.91 158.5 15.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.365 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.731 ' CD2' HD11 ' A' ' 40' ' ' LEU . 4.5 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.461 ' N ' HD13 ' A' ' 5' ' ' ILE . 5.2 mm -56.8 -41.56 75.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.428 ' OE1' HD22 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -58.72 -53.31 59.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.81 HG22 ' CG2' ' A' ' 22' ' ' ILE . 76.6 t -66.25 -48.25 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -52.37 -40.06 61.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -75.1 -47.13 30.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.601 1.188 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.806 ' HG ' HG21 ' A' ' 25' ' ' THR . 1.4 mm? -57.68 -50.95 71.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.658 HD21 HD11 ' A' ' 22' ' ' ILE . 10.3 mt -55.0 -25.97 33.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.478 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.26 -59.12 2.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 13' ' ' LEU . 4.0 mm? -56.57 -59.81 4.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.445 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 4.8 mpt_? -73.99 -12.2 60.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.26 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.434 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 71.49 -142.72 34.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.96 122.07 24.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.7 mmt -153.51 175.13 13.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.527 ' HB3' ' CD1' ' A' ' 74' ' ' TRP . 4.0 pm0 -83.27 161.23 21.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.484 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -67.88 -40.43 83.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.55 -38.43 6.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.363 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -50.17 19.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.81 ' CG2' HG22 ' A' ' 7' ' ' VAL . 17.0 mt -53.04 -51.43 38.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.419 ' HB2' HG22 ' A' ' 28' ' ' THR . 51.9 p -55.3 -42.01 73.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -58.95 -44.97 91.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.806 HG21 ' HG ' ' A' ' 10' ' ' LEU . 48.0 m -44.87 -47.69 11.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.465 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.663 HD23 ' HB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -106.01 25.43 10.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LEU . 1.2 t30 37.12 34.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -85.4 162.78 47.35 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.44 20.3 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.58 1.832 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -43.17 -52.59 12.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -74.99 53.56 3.37 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.394 1.734 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -143.06 -44.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.77 HD12 HG21 ' A' ' 7' ' ' VAL . 21.7 mm -77.88 -35.4 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -57.02 -38.57 73.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.98 98.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.458 ' SD ' HD13 ' A' ' 33' ' ' ILE . 4.2 mtp -73.46 -41.47 63.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.692 ' CD1' HG22 ' A' ' 33' ' ' ILE . 22.5 mt -61.07 -33.65 73.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.215 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.61 -45.14 69.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.113 . . . . 0.0 110.248 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -61.38 -46.82 88.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.731 HD11 ' CD2' ' A' ' 4' ' ' LEU . 5.5 mt -59.07 -43.96 91.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -57.39 -51.73 68.25 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.148 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -54.05 -50.12 67.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.979 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 mtt -62.64 -52.83 61.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.45 45.0 0.53 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -100.62 -66.25 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 109.348 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.91 175.69 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.6 m -135.3 155.79 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.18 134.08 33.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 49' ' ' ILE . 24.2 mm -110.65 151.21 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -114.59 152.36 31.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.452 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 2.0 mt-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.359 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -61.57 133.51 55.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.527 ' CD1' ' HB3' ' A' ' 18' ' ' GLU . 19.6 m0 -98.51 170.96 8.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 108.016 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -124.6 146.86 48.83 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.96 175.53 13.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 17.3 mt -92.9 156.29 17.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.5 tpt85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 8' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.581 ' H ' HD12 ' A' ' 5' ' ' ILE . 2.3 mp -57.51 -30.55 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.613 ' O ' HD23 ' A' ' 10' ' ' LEU . 2.4 mt-30 -63.55 -53.56 49.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.069 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.047 HG23 HG21 ' A' ' 22' ' ' ILE . 6.1 p -68.12 -38.06 79.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.476 ' O ' HD11 ' A' ' 77' ' ' LEU . 18.6 mtt85 -61.41 -39.73 91.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -75.03 -48.02 26.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 6' ' ' GLN . 4.1 mm? -57.32 -46.0 83.68 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.67 HD22 ' HA ' ' A' ' 76' ' ' ALA . 8.2 mt -54.38 -31.32 54.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.674 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.55 -56.27 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.3 mt -53.69 -59.63 4.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 10' ' ' LEU . 11.2 mmm180 -82.46 2.98 30.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.471 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 57.9 -147.46 37.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.09 122.05 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.743 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 23.6 mmt -154.31 175.36 13.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.554 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 7.2 tp10 -86.43 153.63 21.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 18' ' ' GLU . . . -63.45 -47.41 81.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.75 -38.06 3.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -71.74 -51.77 21.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.047 HG21 HG23 ' A' ' 7' ' ' VAL . 11.7 mt -58.93 -43.37 88.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 28' ' ' THR . 80.0 p -57.95 -40.96 81.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -44.9 88.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.325 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.468 HG21 ' HG ' ' A' ' 10' ' ' LEU . 6.3 m -45.99 -45.52 15.82 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.501 1.126 . . . . 0.0 110.483 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.555 HD11 HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -100.38 23.19 10.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' LEU . 1.8 m-20 39.66 29.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -85.04 162.54 49.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.408 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 137.83 22.43 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.393 1.733 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.517 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -48.94 -50.49 61.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.328 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.5 Cg_endo -74.95 52.4 3.03 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 111.056 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.0 tpt -145.33 -44.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.555 HD11 HD11 ' A' ' 26' ' ' LEU . 22.9 mm -79.27 -35.55 17.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -59.13 -43.5 91.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.72 -46.83 86.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -49.68 75.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.562 HD13 ' CD1' ' A' ' 75' ' ' TRP . 20.3 mt -54.09 -43.85 70.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.235 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -45.5 87.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.125 . . . . 0.0 110.245 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -60.67 -48.69 80.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.445 HD11 ' CD2' ' A' ' 4' ' ' LEU . 46.3 mt -57.81 -45.35 86.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.596 1.185 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -54.22 -50.16 67.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.8 t -54.05 -48.67 70.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.01 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 mtm -64.84 -49.51 70.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 113.35 48.61 0.59 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -100.95 -69.16 0.78 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 0.739 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.99 178.51 6.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.6 m -135.64 157.1 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.532 ' HG2' ' CZ3' ' A' ' 75' ' ' TRP . 0.1 OUTLIER -86.99 139.41 30.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 74' ' ' TRP . 3.7 mm -117.51 151.78 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -113.38 151.55 31.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.403 1.065 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 110.301 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.86 135.93 37.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.174 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.554 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 19.4 m0 -100.92 172.02 7.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.999 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.562 ' CD1' HD13 ' A' ' 37' ' ' LEU . 95.4 m95 -125.78 147.92 49.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 108.014 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.67 ' HA ' HD22 ' A' ' 11' ' ' LEU . . . -155.98 166.73 32.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.674 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 33.7 mt -82.57 156.42 23.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.3 tpt85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.595 HD22 ' SD ' ' A' ' 36' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.2 mm -60.8 -35.12 62.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.36 -54.71 36.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.04 HG23 HG21 ' A' ' 22' ' ' ILE . 7.3 p -65.42 -36.93 78.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -67.92 -48.39 66.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.64 ' OD1' HD22 ' A' ' 13' ' ' LEU . 17.7 t0 -59.12 -50.38 74.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.561 HD12 ' HG2' ' A' ' 14' ' ' ARG . 1.4 mm? -58.95 -51.05 71.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.594 HD11 HD21 ' A' ' 37' ' ' LEU . 11.8 mt -55.77 -25.36 40.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.638 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.92 -59.68 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.64 HD22 ' OD1' ' A' ' 9' ' ' ASP . 7.1 mp -57.73 -60.27 3.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.561 ' HG2' HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -74.38 -7.75 53.94 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 67.28 -141.68 39.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.03 137.48 53.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 110.319 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 45.1 tpp -176.04 160.39 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.457 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 2.1 tm-20 -77.05 165.09 25.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.411 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -68.18 -37.5 81.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.64 -37.86 2.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -77.25 -52.17 9.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.04 HG21 HG23 ' A' ' 7' ' ' VAL . 8.6 mt -54.22 -50.9 52.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.429 ' HB2' HG22 ' A' ' 28' ' ' THR . 59.5 p -55.27 -41.56 72.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -45.42 90.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.527 ' HB ' HD23 ' A' ' 26' ' ' LEU . 44.7 m -50.02 -45.42 51.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 110.424 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.697 HD11 HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -103.32 20.81 17.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' LEU . 2.1 t30 38.84 32.23 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.434 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -83.49 163.19 50.84 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.361 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 137.67 22.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 111.038 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -45.34 -52.22 22.75 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -75.05 52.7 3.14 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.575 1.829 . . . . 0.0 111.059 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.8 tpt -142.77 -47.97 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.041 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.697 HD11 HD11 ' A' ' 26' ' ' LEU . 44.8 mm -74.41 -37.56 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -53.15 -41.61 65.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.15 -47.12 86.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.595 ' SD ' HD22 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -62.98 -49.97 72.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.594 HD21 HD11 ' A' ' 11' ' ' LEU . 20.0 mt -54.38 -40.37 68.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -42.49 96.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -60.73 -50.55 73.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.56 HD11 HD11 ' A' ' 4' ' ' LEU . 4.0 mt -60.01 -39.03 84.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.52 -50.76 68.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.235 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 t -53.81 -45.84 70.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.005 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.3 mtp -70.9 -47.55 58.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.963 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.46 47.09 0.88 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 0.0 111.058 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -102.07 -43.35 5.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.589 0.817 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.37 176.74 5.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.4 m -133.37 153.23 36.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -83.48 139.05 33.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.532 HG13 ' HB2' ' A' ' 76' ' ' ALA . 3.6 mm -119.52 151.33 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -115.11 152.83 31.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -73.56 134.52 43.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.457 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 17.5 m0 -99.77 172.02 7.52 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -123.71 148.82 46.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.532 ' HB2' HG13 ' A' ' 49' ' ' ILE . . . -152.74 174.09 14.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.638 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 16.0 mt -90.05 158.76 17.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.436 ' N ' HD13 ' A' ' 5' ' ' ILE . 5.8 mm -53.82 -41.44 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.563 ' OE1' HD22 ' A' ' 26' ' ' LEU . 1.6 mt-30 -58.29 -49.9 75.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.895 HG13 HG21 ' A' ' 22' ' ' ILE . 78.0 t -68.92 -46.06 79.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -58.17 -51.15 70.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -56.56 -51.28 69.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.386 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.558 HD12 ' HG2' ' A' ' 14' ' ' ARG . 1.3 mm? -60.04 -51.44 69.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.597 ' CD2' HD11 ' A' ' 22' ' ' ILE . 9.8 mt -55.24 -25.02 30.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.372 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.699 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -87.12 -59.25 2.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.373 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.19 -60.4 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.233 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.558 ' HG2' HD12 ' A' ' 10' ' ' LEU . 4.5 mpt_? -72.66 -8.75 56.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.42 -139.47 45.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.569 1.168 . . . . 0.0 111.053 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.448 ' HA ' ' HB2' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -67.08 121.39 15.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.757 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -161.18 147.7 14.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.599 ' O ' HD12 ' A' ' 22' ' ' ILE . 4.0 tp10 -63.38 153.73 34.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.605 1.191 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 18' ' ' GLU . . . -63.73 -42.92 97.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.98 -39.32 4.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -51.39 12.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.895 HG21 HG13 ' A' ' 7' ' ' VAL . 3.3 mt -55.06 -53.72 31.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 p -54.17 -44.64 71.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -44.99 73.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.524 ' HB ' HD23 ' A' ' 26' ' ' LEU . 71.8 m -44.73 -37.37 3.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.563 HD22 ' OE1' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -113.79 35.19 4.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 26' ' ' LEU . 13.1 t-20 39.71 30.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.609 HG23 ' HD2' ' A' ' 29' ' ' PRO . 22.5 m -83.16 145.38 48.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.609 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.04 136.33 20.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.472 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -39.71 -53.11 4.67 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 17.9 Cg_endo -75.0 53.76 3.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.541 1.811 . . . . 0.0 110.945 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.98 -44.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.607 HD12 HG21 ' A' ' 7' ' ' VAL . 43.7 mm -76.52 -33.16 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -56.01 -40.39 73.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.365 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.58 -47.22 86.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.243 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -43.19 94.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.571 ' HA ' HD12 ' A' ' 40' ' ' LEU . 25.4 mt -59.24 -45.64 90.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -43.13 68.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -56.52 -49.13 75.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 37' ' ' LEU . 5.4 mt -60.39 -41.91 94.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.3 -50.12 74.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -47.11 71.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.2 mtp -70.21 -45.34 66.77 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.501 1.126 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.26 47.46 0.93 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -102.45 -56.63 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.374 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.579 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -94.19 173.89 7.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.9 m -135.73 157.21 38.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.463 ' HG2' ' CZ3' ' A' ' 75' ' ' TRP . 0.6 OUTLIER -84.38 139.18 32.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' TRP . 33.8 mm -117.28 152.08 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -116.26 151.97 34.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.57 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 1.6 mt-10 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.372 -0.232 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -63.33 133.51 54.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.57 ' CZ2' ' CD ' ' A' ' 51' ' ' GLU . 21.7 m0 -97.94 171.51 8.23 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.463 ' CZ3' ' HG2' ' A' ' 48' ' ' ARG . 95.5 m95 -124.53 147.31 48.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.579 ' O ' ' HB1' ' A' ' 46' ' ' ALA . . . -156.17 178.31 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.699 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 10.5 mt -92.14 167.4 12.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.361 179.921 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.765 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.452 ' N ' HD13 ' A' ' 5' ' ' ILE . 5.5 mm -55.04 -42.57 65.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.168 . . . . 0.0 109.246 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.486 ' OE1' HD22 ' A' ' 26' ' ' LEU . 2.1 mt-30 -58.4 -53.15 61.6 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.05 HG22 ' CG2' ' A' ' 22' ' ' ILE . 17.7 t -65.73 -47.16 86.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -55.07 -40.57 70.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.07 -46.5 34.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.794 ' HG ' HG21 ' A' ' 25' ' ' THR . 2.2 mm? -56.75 -51.07 70.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.498 ' CB ' HD21 ' A' ' 77' ' ' LEU . 9.0 mt -56.05 -24.97 42.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.475 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.67 -59.14 2.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 mp -56.96 -59.74 4.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.229 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.483 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 5.1 mpt_? -73.66 -10.01 59.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.9 -148.19 51.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 117.94 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 110.229 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.7 mmt -154.17 162.5 41.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.661 ' OE2' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -68.3 156.19 38.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.31 -46.01 78.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.661 ' HB3' ' OE2' ' A' ' 18' ' ' GLU . . . -43.61 -37.2 2.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.447 ' N ' ' OE1' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -70.2 -49.47 49.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.05 ' CG2' HG22 ' A' ' 7' ' ' VAL . 5.1 mt -59.3 -47.68 89.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.435 ' HB2' HG22 ' A' ' 28' ' ' THR . 84.2 p -55.05 -42.08 72.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.045 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -61.99 -46.57 88.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.24 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.794 HG21 ' HG ' ' A' ' 10' ' ' LEU . 2.0 m -47.37 -33.05 5.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.404 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.56 HD23 HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER -115.75 24.03 11.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' LEU . 3.3 t30 36.91 34.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -89.01 162.29 38.35 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.428 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 139.72 24.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -48.04 -52.04 43.64 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.1 Cg_endo -74.98 53.23 3.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.04 -49.15 0.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.648 HD12 HG21 ' A' ' 7' ' ' VAL . 45.7 mm -72.3 -35.28 51.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -56.49 -41.11 76.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.229 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.04 -46.61 87.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -45.52 87.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.056 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 75' ' ' TRP . 24.8 mt -55.19 -40.35 70.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -46.75 87.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -60.0 -48.96 79.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.765 HD11 ' CD2' ' A' ' 4' ' ' LEU . 66.8 mt -60.61 -41.71 95.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.21 -50.34 73.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t -53.97 -49.99 67.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.1 . . . . 0.0 109.974 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.3 mtt -63.01 -45.39 92.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.73 46.62 0.83 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.14 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -102.94 -64.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.55 178.25 6.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.636 HG11 ' HD2' ' A' ' 78' ' ' ARG . 34.2 m -139.38 156.25 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.403 ' HG2' ' CZ3' ' A' ' 75' ' ' TRP . 0.4 OUTLIER -85.99 139.19 31.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 49' ' ' ILE . 34.1 mm -117.29 151.02 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -114.1 150.75 33.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.229 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -64.2 138.12 58.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.567 ' CD1' ' HB3' ' A' ' 18' ' ' GLU . 14.6 m0 -102.71 170.95 7.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.008 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.526 ' CD1' HD13 ' A' ' 37' ' ' LEU . 94.3 m95 -123.42 147.09 47.47 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.482 ' HA ' HD22 ' A' ' 11' ' ' LEU . . . -156.02 177.24 11.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.498 HD21 ' CB ' ' A' ' 11' ' ' LEU . 10.5 mt -99.19 159.12 15.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.636 ' HD2' HG11 ' A' ' 47' ' ' VAL . 7.3 tpt180 . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.646 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.507 ' N ' HD13 ' A' ' 5' ' ' ILE . 4.5 mm -52.39 -42.27 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 109.351 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.476 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.2 mt-30 -58.23 -52.92 63.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.081 HG22 ' CG2' ' A' ' 22' ' ' ILE . 14.9 t -66.16 -46.97 86.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -47.24 79.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -61.99 -51.04 69.65 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.662 ' HG ' HG21 ' A' ' 25' ' ' THR . 3.3 mm? -59.18 -49.08 79.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.481 HD22 ' HA ' ' A' ' 76' ' ' ALA . 6.4 mt -50.85 -28.82 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.815 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.13 -58.64 2.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.1 mt -52.93 -60.17 3.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -76.55 -9.21 58.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.449 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 66.96 -146.22 47.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.653 ' CB ' ' HB2' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -70.58 120.67 16.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 0.742 . . . . 0.0 110.252 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 16' ' ' ARG . 26.2 mmt -155.45 175.49 13.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.521 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 5.0 tp10 -81.53 146.41 30.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.571 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -60.47 -42.71 96.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.383 1.052 . . . . 0.0 109.301 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.94 -37.99 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -74.91 -49.07 21.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.081 ' CG2' HG22 ' A' ' 7' ' ' VAL . 7.0 mt -55.79 -46.03 79.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 p -57.63 -48.31 79.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.77 -44.88 74.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.286 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.662 HG21 ' HG ' ' A' ' 10' ' ' LEU . 81.6 m -48.01 -33.29 7.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.405 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.451 ' C ' ' N ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -116.22 33.46 5.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' LEU . 44.3 t-20 39.16 30.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.713 HG23 ' HD2' ' A' ' 29' ' ' PRO . 5.8 m -87.2 146.45 40.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.713 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.0 135.1 18.63 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.389 1.731 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.476 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -38.78 -52.94 3.55 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.241 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.05 53.06 3.24 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.458 ' HB3' ' CG2' ' A' ' 28' ' ' THR . 0.3 OUTLIER -146.86 -44.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 111.017 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.492 HD12 HG21 ' A' ' 7' ' ' VAL . 32.3 mm -75.42 -35.59 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -53.54 -39.55 64.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.93 -46.27 82.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -48.31 73.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.072 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 21.5 mt -56.61 -38.03 71.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -33.8 76.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -45.17 40.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.646 HD11 ' CD2' ' A' ' 4' ' ' LEU . 49.8 mt -61.18 -38.94 88.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.79 -51.31 70.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.26 -46.95 72.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mtt -63.1 -51.14 67.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.41 47.32 1.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -102.05 -56.54 2.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -93.75 170.84 9.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.3 m -124.73 155.83 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -91.15 136.99 32.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 74' ' ' TRP . 42.6 mm -118.91 152.21 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -120.76 149.81 41.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.24 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.07 136.65 56.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.521 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 18.6 m0 -100.58 169.82 8.79 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.447 ' CD1' HD13 ' A' ' 37' ' ' LEU . 93.2 m95 -133.74 148.02 51.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 107.995 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.653 ' HB2' ' CB ' ' A' ' 16' ' ' ARG . . . -155.54 172.57 18.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.815 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 9.5 mt -86.73 156.05 20.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.7 mm -56.85 -41.42 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.42 ' OE1' HD22 ' A' ' 26' ' ' LEU . 2.6 mt-30 -58.29 -53.23 60.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.119 HG13 HG21 ' A' ' 22' ' ' ILE . 24.4 t -66.9 -47.15 83.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.686 ' O ' HD11 ' A' ' 77' ' ' LEU . 9.5 mtm180 -55.5 -49.51 72.37 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -56.42 -51.28 68.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.341 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.908 ' HG ' HG21 ' A' ' 25' ' ' THR . 2.5 mm? -61.23 -51.09 70.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.596 HD22 ' HA ' ' A' ' 76' ' ' ALA . 5.5 mt -51.62 -29.74 18.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.064 . . . . 0.0 109.232 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.748 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -86.43 -57.73 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.4 mt -53.36 -60.37 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.542 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -76.72 -8.54 57.48 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 65.36 -154.85 50.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.433 1.083 . . . . 0.0 110.997 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.685 ' HB3' ' HB2' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -63.0 117.56 6.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 110.325 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 30.6 mmm -150.94 175.41 12.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 111.003 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 19' ' ' ALA . 13.8 tp10 -72.2 140.17 48.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.95 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -56.38 -49.36 74.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.97 -39.92 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -43.08 87.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.119 HG21 HG13 ' A' ' 7' ' ' VAL . 7.0 mt -61.45 -51.76 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 p -55.75 -45.46 78.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -44.85 72.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.908 HG21 ' HG ' ' A' ' 10' ' ' LEU . 68.3 m -44.25 -37.17 3.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.382 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.535 HD23 ' HB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -115.1 36.38 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.1 t30 39.29 31.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.746 HG23 ' HD2' ' A' ' 29' ' ' PRO . 3.4 m -84.45 146.81 48.21 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.179 . . . . 0.0 110.326 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.746 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.6 Cg_endo -74.9 134.09 17.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.476 1.777 . . . . 0.0 111.032 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.474 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -38.13 -52.84 3.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.0 53.21 3.27 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.446 1.761 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.466 ' HB3' ' CG2' ' A' ' 28' ' ' THR . 4.6 tpt -146.6 -44.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.562 HG22 ' CD1' ' A' ' 37' ' ' LEU . 25.0 mm -75.72 -34.54 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -53.12 -34.86 58.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.143 . . . . 0.0 109.25 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.33 -47.26 74.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.273 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.434 ' SD ' HD22 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -62.43 -50.74 70.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 110.98 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.562 ' CD1' HG22 ' A' ' 33' ' ' ILE . 8.4 mt -53.94 -41.77 68.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -34.21 68.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -69.91 -46.44 65.38 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 110.344 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.426 HD11 ' CD1' ' A' ' 4' ' ' LEU . 19.5 mt -59.43 -43.39 93.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -50.14 68.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -53.92 -45.55 71.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.58 -46.46 66.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.43 45.93 1.38 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -102.32 -53.49 2.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.384 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -96.42 170.46 9.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.4 m -133.79 157.68 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.408 ' HD3' ' CH2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -91.32 138.46 31.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.605 HD11 ' HB3' ' A' ' 76' ' ' ALA . 4.3 mp -120.75 147.29 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -109.6 152.24 25.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.54 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.24 131.89 49.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.54 ' CZ2' ' CD ' ' A' ' 51' ' ' GLU . 44.5 m0 -89.41 165.15 14.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 107.984 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.414 ' CD1' HD13 ' A' ' 37' ' ' LEU . 96.3 m95 -121.55 150.87 41.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 107.988 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.685 ' HB2' ' HB3' ' A' ' 16' ' ' ARG . . . -153.92 174.57 14.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.748 HD12 ' HB2' ' A' ' 12' ' ' ALA . 21.9 mt -98.79 155.4 17.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.707 ' CD1' HD11 ' A' ' 40' ' ' LEU . 2.1 mm? . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.433 ' H ' HD12 ' A' ' 5' ' ' ILE . 2.1 mp -49.31 -39.41 13.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.537 1.148 . . . . 0.0 109.241 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.498 ' OE1' HD22 ' A' ' 26' ' ' LEU . 2.7 mt-30 -58.58 -46.49 86.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.267 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.975 HG13 HG21 ' A' ' 22' ' ' ILE . 49.8 t -73.38 -47.86 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.728 ' O ' HD11 ' A' ' 77' ' ' LEU . 19.8 mtp180 -53.65 -41.29 66.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.16 -50.6 46.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.895 ' HG ' HG21 ' A' ' 25' ' ' THR . 1.5 mm? -58.06 -50.99 71.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.473 HD21 HD11 ' A' ' 22' ' ' ILE . 9.1 mt -55.35 -25.72 36.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.658 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.4 -59.04 2.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -57.15 -59.82 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.576 ' HD3' HD13 ' A' ' 10' ' ' LEU . 4.8 mpt_? -73.55 -11.15 60.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 68.27 -146.46 45.98 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -67.91 120.6 14.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 0.735 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.2 mmt -154.29 175.29 13.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.28 163.04 15.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.32 84.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.87 -38.64 7.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -51.96 10.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.975 HG21 HG13 ' A' ' 7' ' ' VAL . 32.2 mt -53.08 -47.15 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.413 ' HB2' HG22 ' A' ' 28' ' ' THR . 83.2 p -55.31 -46.2 76.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 110.052 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -57.4 -45.63 84.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.895 HG21 ' HG ' ' A' ' 10' ' ' LEU . 58.3 m -45.76 -40.02 8.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.562 HD23 ' HB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -110.92 24.84 12.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.237 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER 37.69 33.2 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -86.68 162.51 44.62 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 110.441 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.76 19.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -44.78 -51.66 21.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.6 Cg_endo -74.88 53.2 3.21 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.525 1.802 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.5 tpp -143.8 -49.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 110.999 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.657 HG22 ' CD1' ' A' ' 37' ' ' LEU . 22.4 mm -71.39 -32.68 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -57.28 -37.98 73.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.15 -46.18 71.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -50.65 69.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.068 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.657 ' CD1' HG22 ' A' ' 33' ' ' ILE . 19.6 mt -53.89 -40.57 66.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -42.92 92.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.246 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -58.51 -52.55 65.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.707 HD11 ' CD1' ' A' ' 4' ' ' LEU . 26.8 mt -52.51 -44.84 65.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.16 -53.61 51.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -53.91 -45.73 71.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.054 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mtt -66.73 -47.76 71.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.85 43.77 1.5 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.131 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -101.08 -54.62 2.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.23 173.67 7.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.6 m -133.47 157.53 42.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.07 139.19 31.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' TRP . 29.6 mm -117.01 150.41 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.39 161.47 15.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.33 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.334 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -60.06 139.73 57.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ILE . 15.0 m0 -104.02 171.71 7.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -123.81 148.74 46.44 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.439 ' HA ' HD22 ' A' ' 11' ' ' LEU . . . -155.78 176.54 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.728 HD11 ' O ' ' A' ' 8' ' ' ARG . 20.0 mt -94.23 163.32 13.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 tpt85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.228 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.445 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.541 ' H ' HD12 ' A' ' 5' ' ' ILE . 2.1 mp -52.45 -36.01 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.775 ' O ' HD23 ' A' ' 10' ' ' LEU . 8.0 mt-30 -58.63 -53.1 62.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.843 HG22 ' CG2' ' A' ' 22' ' ' ILE . 53.0 t -66.79 -48.19 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.421 ' O ' HD11 ' A' ' 77' ' ' LEU . 96.2 mtt180 -53.41 -46.75 69.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.71 -50.95 70.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.897 ' HG ' HG21 ' A' ' 25' ' ' THR . 4.2 mm? -58.79 -48.73 80.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 11' ' ' LEU . 9.2 mt -55.41 -27.62 48.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.497 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.51 -59.11 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.419 ' HA ' HD13 ' A' ' 13' ' ' LEU . 4.0 mm? -54.34 -58.29 7.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.224 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -82.86 7.69 14.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 110.352 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 51.07 -140.55 22.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.56 ' HB3' ' HB2' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -72.58 121.56 19.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 110.273 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.4 mmm -148.92 175.46 11.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.607 ' OE1' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -81.95 159.28 23.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.886 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -67.9 -40.24 83.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.607 ' HB3' ' OE1' ' A' ' 18' ' ' GLU . . . -50.46 -39.65 48.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -41.68 77.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.112 . . . . 0.0 110.347 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.886 HD12 ' HA ' ' A' ' 19' ' ' ALA . 19.2 mt -60.07 -47.67 90.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 28' ' ' THR . 43.3 p -60.01 -39.84 87.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.957 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -44.59 95.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.897 HG21 ' HG ' ' A' ' 10' ' ' LEU . 4.4 m -47.88 -46.24 31.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 110.408 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.492 HD23 ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -108.56 22.57 15.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER 37.91 32.43 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.463 HG21 HD11 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -80.01 163.06 59.74 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 134.98 18.49 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.441 1.759 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -44.01 -52.0 16.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.09 53.93 3.53 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.09 -47.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.463 HD11 HG21 ' A' ' 28' ' ' THR . 19.3 mm -74.3 -35.51 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -53.94 -36.86 63.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.84 -47.06 82.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -49.27 72.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.409 HD22 ' CG ' ' A' ' 75' ' ' TRP . 21.7 mt -54.13 -38.26 65.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -47.57 79.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.86 -49.23 77.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.445 HD11 ' CD2' ' A' ' 4' ' ' LEU . 56.6 mt -56.96 -46.91 81.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.73 -51.7 68.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -54.01 -48.87 70.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 0.0 109.941 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 mtp -66.33 -42.36 88.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.26 45.12 1.38 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.483 1.114 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -99.86 -63.06 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 0.81 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -91.11 175.32 6.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.165 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.35 155.71 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.564 ' HD2' ' CH2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -85.83 139.13 31.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.461 HG21 ' HD3' ' A' ' 16' ' ' ARG . 21.5 mm -117.65 152.01 19.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -117.97 152.5 35.35 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.07 143.91 54.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' ILE . 15.9 m0 -105.1 171.37 7.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.564 ' CH2' ' HD2' ' A' ' 48' ' ' ARG . 95.6 m95 -124.59 147.78 48.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 108.002 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.56 ' HB2' ' HB3' ' A' ' 16' ' ' ARG . . . -156.03 169.33 24.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.497 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 22.0 mt -86.06 156.39 20.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.501 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.435 ' N ' HD13 ' A' ' 5' ' ' ILE . 5.2 mm -65.41 -34.06 67.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -62.13 -53.76 50.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.98 HG23 HG21 ' A' ' 22' ' ' ILE . 5.1 p -64.86 -37.39 80.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.528 ' O ' HD11 ' A' ' 77' ' ' LEU . 3.5 mtt180 -67.16 -52.95 35.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -55.89 -49.24 73.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.23 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.808 ' HG ' HG21 ' A' ' 25' ' ' THR . 1.6 mm? -60.91 -48.08 83.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' A' ' 76' ' ' ALA . 10.0 mt -54.24 -29.51 46.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.827 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.82 -55.84 3.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.3 mt -55.58 -60.58 3.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.543 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -78.02 -7.44 56.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 70.29 -155.13 52.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.463 1.102 . . . . 0.0 111.058 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 138.56 57.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 0.792 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 45.0 tpp -177.17 158.35 1.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.552 ' HB3' ' CD1' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -69.45 153.58 43.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.252 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.741 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -65.64 -38.79 90.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.405 ' HB3' ' HG3' ' A' ' 18' ' ' GLU . . . -45.7 -37.69 6.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -50.82 12.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.379 1.049 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.98 HG21 HG23 ' A' ' 7' ' ' VAL . 5.7 mt -55.72 -38.0 49.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.507 ' HB2' HG22 ' A' ' 28' ' ' THR . 81.2 p -62.23 -49.63 74.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.95 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -44.57 80.12 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.808 HG21 ' HG ' ' A' ' 10' ' ' LEU . 5.8 m -44.83 -45.85 10.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.486 HD11 HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -104.4 30.99 4.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 109.263 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' LEU . 19.2 t30 39.11 30.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.552 HG21 HG12 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -86.74 151.27 52.34 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.428 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.485 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.1 Cg_endo -74.95 133.15 16.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.483 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -38.43 -52.57 3.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -74.99 54.14 3.55 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.524 1.802 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.477 ' HB3' HG23 ' A' ' 28' ' ' THR . 0.0 OUTLIER -145.31 -46.32 0.22 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.173 . . . . 0.0 110.968 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.552 HG12 HG21 ' A' ' 28' ' ' THR . 22.2 mm -76.49 -38.48 31.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.357 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -52.19 -38.01 56.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.8 91.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.363 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -48.96 68.76 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 26.2 mt -56.22 -36.43 68.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -37.12 84.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.24 -45.66 62.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.501 HD11 ' CD2' ' A' ' 4' ' ' LEU . 20.6 mt -60.59 -41.75 95.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.59 -50.75 71.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -54.04 -52.51 60.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.1 mtt -59.93 -45.89 91.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.47 45.58 2.12 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -98.7 -49.37 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -91.83 175.92 6.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.8 m -131.83 153.7 39.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -86.36 139.14 31.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.8 mm -117.64 151.91 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -110.65 152.15 26.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.356 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.15 142.22 57.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.368 1.042 . . . . 0.0 110.219 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.552 ' CD1' ' HB3' ' A' ' 18' ' ' GLU . 15.9 m0 -102.87 170.98 7.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 107.982 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -124.64 148.66 47.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 108.007 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.629 ' O ' ' HB1' ' A' ' 46' ' ' ALA . . . -156.16 178.58 10.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.827 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 9.5 mt -98.06 155.64 17.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.813 HD21 HD21 ' A' ' 40' ' ' LEU . 5.2 tp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.473 ' H ' HD12 ' A' ' 5' ' ' ILE . 2.5 mp -47.49 -41.92 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.57 -46.73 86.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.848 HG22 ' CG2' ' A' ' 22' ' ' ILE . 99.5 t -72.58 -48.2 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.448 HH21 ' CD2' ' A' ' 40' ' ' LEU . 93.2 mtt180 -50.82 -36.01 35.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.08 -49.26 20.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.503 ' HG ' HG21 ' A' ' 25' ' ' THR . 1.5 mm? -59.37 -51.3 70.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.041 HD21 HD11 ' A' ' 22' ' ' ILE . 12.2 mt -54.22 -25.04 20.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.51 ' N ' HD11 ' A' ' 77' ' ' LEU . . . -86.85 -59.48 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.47 -60.12 4.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' LEU . 6.0 mpt_? -71.41 -14.65 62.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.58 -154.84 53.37 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.54 ' CB ' ' HB2' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -64.12 120.72 12.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 0.737 . . . . 0.0 110.266 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.7 mmt -155.98 175.47 13.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.81 151.82 39.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.67 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -67.94 -40.01 83.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.74 -38.63 4.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.588 1.18 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -68.41 -47.53 67.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.215 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.041 HD11 HD21 ' A' ' 11' ' ' LEU . 22.4 mt -58.06 -44.67 87.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 28' ' ' THR . 51.3 p -57.39 -43.47 83.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 109.976 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -60.88 -44.88 96.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.567 ' HB ' HD23 ' A' ' 26' ' ' LEU . 95.5 m -44.78 -47.6 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.598 HD23 ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -105.02 24.96 11.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER 37.94 31.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -84.38 162.49 51.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.35 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.46 21.75 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.498 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -46.08 -51.63 31.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -74.98 53.01 3.2 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.16 -44.45 0.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.964 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.51 HD12 HG21 ' A' ' 7' ' ' VAL . 24.2 mm -77.38 -36.9 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -55.03 -42.18 72.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.361 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.15 -46.87 84.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -47.18 77.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.424 1.078 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.424 ' CD1' HG22 ' A' ' 33' ' ' ILE . 21.5 mt -56.58 -37.66 70.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -42.9 98.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -51.03 65.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.813 HD21 HD21 ' A' ' 4' ' ' LEU . 36.6 mt -56.83 -45.04 82.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.91 -50.68 70.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.1 t -54.04 -48.56 70.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.7 mtt -61.2 -54.87 38.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.06 38.04 0.62 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -106.22 -36.64 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.479 ' C ' HG13 ' A' ' 47' ' ' VAL . . . -100.46 -179.46 4.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.236 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.479 HG13 ' C ' ' A' ' 46' ' ' ALA . 22.0 m -155.19 146.03 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -89.29 138.81 31.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.77 HD11 ' HB3' ' A' ' 76' ' ' ALA . 4.1 mp -120.17 152.17 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.607 1.192 . . . . 0.0 109.368 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -110.89 150.65 28.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.508 ' HG3' ' CE2' ' A' ' 74' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.8 138.83 58.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.508 ' CE2' ' HG3' ' A' ' 51' ' ' GLU . 27.5 m0 -93.89 168.86 10.7 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -122.97 145.03 48.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 107.982 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.77 ' HB3' HD11 ' A' ' 49' ' ' ILE . . . -156.29 178.95 9.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.51 HD11 ' N ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -89.89 152.04 21.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.453 ' HA ' HG11 ' A' ' 47' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.472 ' CD1' HD11 ' A' ' 40' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.5 mm -63.56 -33.91 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.45 -53.41 55.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.02 HG23 HG21 ' A' ' 22' ' ' ILE . 5.6 p -67.78 -36.41 75.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.061 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.538 ' O ' HD11 ' A' ' 77' ' ' LEU . 9.6 mtp180 -67.1 -50.39 61.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -55.95 -49.32 73.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.772 ' HG ' HG21 ' A' ' 25' ' ' THR . 4.0 mm? -62.08 -47.78 83.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.753 HD11 HD21 ' A' ' 37' ' ' LEU . 12.0 mt -58.59 -25.78 62.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.796 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.73 -59.17 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.48 -59.41 5.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.401 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 10.1 mmm-85 -78.99 1.22 24.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.212 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 58.97 -142.59 46.27 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.469 1.106 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.538 ' HB3' ' HB2' ' A' ' 76' ' ' ALA . 3.5 ptt180 -66.65 131.23 45.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.583 0.813 . . . . 0.0 110.23 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.89 152.61 5.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 6.1 tp10 -68.07 160.01 29.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.811 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -68.41 -39.08 81.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.83 -38.13 3.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -77.17 -47.23 20.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.02 HG21 HG23 ' A' ' 7' ' ' VAL . 8.6 mt -58.05 -44.99 88.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.37 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.421 ' HA ' HG22 ' A' ' 28' ' ' THR . 97.5 p -56.48 -46.47 80.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 109.974 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -58.1 -45.55 87.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.772 HG21 ' HG ' ' A' ' 10' ' ' LEU . 87.6 m -45.97 -47.43 16.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.446 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.565 HD11 HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -103.49 24.43 11.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LEU . 51.0 t-20 37.92 33.65 0.05 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.421 HG22 ' HA ' ' A' ' 23' ' ' SER . 0.5 OUTLIER -87.35 162.68 42.18 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 110.441 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD2' ' OG1' ' A' ' 28' ' ' THR . 18.6 Cg_endo -74.97 135.88 19.72 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.506 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -46.28 -50.83 37.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.361 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -75.06 53.36 3.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.1 ttp -145.86 -44.74 0.21 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.565 HD11 HD11 ' A' ' 26' ' ' LEU . 25.2 mm -77.41 -35.94 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -55.72 -40.94 73.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.38 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.39 -46.2 87.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.455 ' CE ' HD22 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -62.82 -51.53 66.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.753 HD21 HD11 ' A' ' 11' ' ' LEU . 20.1 mt -53.84 -39.38 65.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -30.97 70.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -53.18 18.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 4' ' ' LEU . 15.7 mt -54.54 -42.39 70.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.97 -51.27 70.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -53.9 -47.32 71.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.2 mtt -67.54 -43.35 80.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.53 45.44 1.32 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.561 1.163 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -100.53 -55.62 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.741 . . . . 0.0 109.235 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.92 175.91 6.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.0 m -132.01 158.13 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.354 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.688 HH21 ' CD ' ' A' ' 73' ' ' GLU . 2.3 ttt180 -91.93 135.83 33.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.733 HD11 ' HB3' ' A' ' 76' ' ' ALA . 3.9 mp -118.82 151.89 21.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -110.66 152.38 26.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.597 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.688 ' CD ' HH21 ' A' ' 48' ' ' ARG . 4.2 mp0 -59.95 137.74 58.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.597 ' CZ2' ' CD ' ' A' ' 51' ' ' GLU . 31.0 m0 -91.77 169.53 10.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 108.033 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.4 ' CZ2' ' HD2' ' A' ' 48' ' ' ARG . 97.2 m95 -125.6 148.62 48.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 108.01 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.733 ' HB3' HD11 ' A' ' 49' ' ' ILE . . . -155.05 160.25 40.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.796 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 30.6 mt -76.06 158.55 31.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.09 . . . . 0.0 109.239 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 36' ' ' MET . 1.5 mt . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.509 ' N ' HD13 ' A' ' 5' ' ' ILE . 4.3 mm -56.21 -41.98 71.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.72 ' OE1' HD22 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -58.09 -45.05 87.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.914 HG22 ' CG2' ' A' ' 22' ' ' ILE . 60.1 t -74.26 -45.82 46.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.581 1.176 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.5 ' HA ' HD21 ' A' ' 77' ' ' LEU . 3.2 mtt180 -59.51 -40.17 86.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -66.89 -46.56 74.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.96 ' HG ' HG21 ' A' ' 25' ' ' THR . 2.2 mm? -65.82 -51.37 59.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.751 HD21 HD11 ' A' ' 22' ' ' ILE . 9.3 mt -54.13 -28.38 39.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.442 ' HB2' HD13 ' A' ' 77' ' ' LEU . . . -86.77 -58.83 2.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 13' ' ' LEU . 41.8 mt -55.01 -61.06 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.542 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -76.33 -7.33 54.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 69.8 -154.52 52.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.417 ' CB ' ' HB2' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -59.97 139.92 57.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -177.21 151.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.872 ' OE1' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -61.43 158.87 13.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.35 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.811 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -67.73 -40.69 84.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.872 ' HB3' ' OE1' ' A' ' 18' ' ' GLU . . . -43.67 -38.06 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.08 -52.1 15.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.226 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.914 ' CG2' HG22 ' A' ' 7' ' ' VAL . 6.2 mt -52.91 -46.61 52.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.45 ' HB2' HG22 ' A' ' 28' ' ' THR . 26.7 p -54.65 -46.62 74.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.046 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.79 -46.35 84.75 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.96 HG21 ' HG ' ' A' ' 10' ' ' LEU . 95.2 m -47.67 -34.79 8.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.72 HD22 ' OE1' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -116.09 24.24 11.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.414 1.071 . . . . 0.0 109.355 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LEU . 4.4 t-20 38.18 31.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.483 HG21 HD11 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -86.65 159.86 51.61 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.98 135.37 19.02 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.533 1.807 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -44.33 -51.54 19.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.4 Cg_endo -74.98 53.29 3.28 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.543 1.812 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -145.26 -49.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.483 HD11 HG21 ' A' ' 28' ' ' THR . 48.9 mm -72.88 -38.4 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -51.85 -37.67 52.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.12 -42.0 72.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.365 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.548 ' HB3' HD21 ' A' ' 4' ' ' LEU . 8.0 mtt -73.6 -42.61 61.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.554 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 21.7 mt -60.57 -32.64 71.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -40.67 74.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.264 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -64.88 -48.43 74.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.1 mt -57.6 -41.1 80.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.09 -55.24 30.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.2 t -54.15 -48.44 70.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 mtm -66.34 -47.98 71.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.04 43.88 1.58 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -101.16 -42.81 6.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.15 178.5 5.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.1 m -136.63 155.71 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.7 139.12 30.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.387 1.054 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 74' ' ' TRP . 6.2 mm -116.16 151.89 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -112.83 151.83 29.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.609 1.193 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.18 136.98 58.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' ILE . 17.7 m0 -102.48 169.01 8.94 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -121.24 149.05 43.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 107.995 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.417 ' HB2' ' CB ' ' A' ' 16' ' ' ARG . . . -155.45 178.18 10.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.5 HD21 ' HA ' ' A' ' 8' ' ' ARG . 1.5 mp -96.51 159.26 15.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.397 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.6 tpt85 . . . . . 0 C--N 1.323 -0.552 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.946 ' CD1' HD11 ' A' ' 40' ' ' LEU . 1.7 mm? . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.4 mm -62.06 -37.18 77.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.487 ' HB3' HD22 ' A' ' 26' ' ' LEU . 2.1 mt-30 -58.92 -53.98 52.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.713 HG23 HG21 ' A' ' 22' ' ' ILE . 6.3 p -65.96 -36.77 78.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.529 ' O ' HD11 ' A' ' 77' ' ' LEU . 8.8 mtm180 -67.9 -36.09 79.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 110.355 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -75.08 -47.47 28.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.668 HD11 HG21 ' A' ' 25' ' ' THR . 2.0 mm? -57.35 -47.84 80.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.499 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 9.9 mt -53.0 -33.0 49.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.686 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -84.28 -57.91 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.1 mt -51.5 -60.11 3.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.537 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 4.7 mpt_? -78.04 -8.45 58.21 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 68.64 -156.84 53.26 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.404 ' O ' ' SD ' ' A' ' 17' ' ' MET . 0.3 OUTLIER -63.0 118.43 7.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 0.74 . . . . 0.0 110.322 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.404 ' SD ' ' O ' ' A' ' 16' ' ' ARG . 25.0 mmt -155.55 175.26 14.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.524 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 0.3 OUTLIER -86.79 163.24 17.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 110.339 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.755 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -67.93 -37.71 81.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.66 -37.9 6.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.55 1.156 . . . . 0.0 109.361 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -46.47 40.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 19' ' ' ALA . 11.6 mt -59.71 -55.31 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.8 p -50.0 -35.87 26.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.057 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -49.03 67.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.668 HG21 HD11 ' A' ' 10' ' ' LEU . 98.5 m -62.57 -49.98 73.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.404 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.558 ' CD1' HD11 ' A' ' 33' ' ' ILE . 20.3 mt -67.12 -10.14 47.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.19 34.54 8.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.509 HG23 ' HB3' ' A' ' 32' ' ' MET . 0.4 OUTLIER -113.85 164.62 15.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.451 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.01 135.2 18.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.966 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.489 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -39.0 -52.47 3.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.4 Cg_endo -74.99 53.87 3.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.509 ' HB3' HG23 ' A' ' 28' ' ' THR . 1.6 tpt -144.25 -49.29 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.558 HD11 ' CD1' ' A' ' 26' ' ' LEU . 12.0 mm -73.65 -30.28 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -54.69 -32.32 59.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 109.256 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.17 -46.33 71.03 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.593 1.183 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -49.47 72.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.465 ' CD1' HG22 ' A' ' 33' ' ' ILE . 17.1 mt -53.66 -36.53 62.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -41.63 96.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -63.91 -53.08 56.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.946 HD11 ' CD1' ' A' ' 4' ' ' LEU . 50.4 mt -55.82 -42.16 75.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -58.03 -52.59 64.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -53.87 -46.54 71.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 mtt -62.77 -48.68 78.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.04 47.87 0.98 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -102.5 -59.83 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 0.795 . . . . 0.0 109.349 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.637 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -90.98 -179.6 5.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.58 HG11 ' HD2' ' A' ' 78' ' ' ARG . 33.6 m -135.25 157.42 40.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.497 ' CD ' ' CH2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -91.48 139.38 30.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.5 mm -117.08 151.63 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -113.5 151.49 31.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.246 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -61.2 137.59 58.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.524 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 15.0 m0 -104.23 170.27 8.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 108.016 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.497 ' CH2' ' CD ' ' A' ' 48' ' ' ARG . 96.4 m95 -123.67 148.11 46.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 107.965 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.637 ' O ' ' HB1' ' A' ' 46' ' ' ALA . . . -156.13 178.85 9.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.686 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 11.4 mt -99.37 156.77 16.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.58 ' HD2' HG11 ' A' ' 47' ' ' VAL . 8.4 tpt180 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.597 1.186 . . . . 0.0 110.305 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.442 0.163 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.5 -174.8 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 p -96.91 160.64 14.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.785 HD21 ' HB3' ' A' ' 36' ' ' MET . 2.7 mt -76.0 -35.02 59.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 mm -51.85 -28.78 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -63.57 -53.28 54.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.348 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.875 HG23 HG21 ' A' ' 22' ' ' ILE . 6.0 p -65.69 -37.02 78.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -68.57 -47.43 66.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -62.08 -51.33 68.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.471 ' HG ' HG21 ' A' ' 25' ' ' THR . 3.6 mm? -58.37 -42.01 86.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.569 HD22 ' HA ' ' A' ' 76' ' ' ALA . 11.0 mt -58.89 -30.32 67.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.739 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.98 -51.96 5.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.3 mt -58.66 -59.91 4.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' LEU . 9.5 mmm-85 -82.02 3.45 26.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.456 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 57.99 -142.19 44.44 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.21 127.34 32.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.245 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 43.1 tpp -166.97 152.24 7.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.655 ' HG3' ' HB3' ' A' ' 20' ' ' ALA . 1.2 pt-20 -65.34 160.96 20.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.429 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . . . -68.15 -39.17 82.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.655 ' HB3' ' HG3' ' A' ' 18' ' ' GLU . . . -43.64 -38.16 2.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.83 -52.03 14.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.875 HG21 HG23 ' A' ' 7' ' ' VAL . 5.7 mt -56.39 -49.49 76.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 28' ' ' THR . 50.4 p -53.38 -41.54 66.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.053 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -45.09 94.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.471 HG21 ' HG ' ' A' ' 10' ' ' LEU . 54.9 m -48.27 -46.15 35.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.406 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.71 HD11 HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -100.37 21.68 12.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' LEU . 7.7 t-20 39.12 30.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -83.4 163.36 50.31 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.376 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.2 21.44 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.536 1.808 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.495 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -45.97 -51.92 28.93 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.342 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.01 53.42 3.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.559 1.82 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.59 -48.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.71 HD11 HD11 ' A' ' 26' ' ' LEU . 22.6 mm -74.91 -38.38 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -55.2 -42.72 73.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.7 -46.82 86.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.785 ' HB3' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -63.88 -46.51 84.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.543 HD13 ' CD1' ' A' ' 75' ' ' TRP . 20.8 mt -54.21 -39.72 66.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -45.24 94.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.337 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -60.85 -52.38 65.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.545 HD11 HD22 ' A' ' 4' ' ' LEU . 56.3 mt -56.62 -45.21 81.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.13 -50.03 72.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -54.01 -48.02 70.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mtt -62.54 -51.94 65.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.58 46.38 0.62 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -102.46 -59.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.658 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -94.03 173.95 7.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.7 m -131.96 156.14 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.02 137.71 32.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 74' ' ' TRP . 21.6 mm -116.47 149.91 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -115.54 149.95 37.35 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 0.3 OUTLIER -105.18 167.57 9.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -41.26 146.3 0.53 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -126.41 164.07 21.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -155.81 175.38 33.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.1 p -170.43 163.58 8.56 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 57' ' ' LEU . 4.5 mm? -105.86 159.78 15.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.98 128.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.94 -115.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.98 91.74 4.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.96 158.27 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 108.32 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.01 134.67 47.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.16 120.23 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.954 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.39 164.16 19.24 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 108.315 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.55 1.816 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.44 59.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.48 -70.23 3.03 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.502 1.126 . . . . 0.0 111.046 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt 60.67 166.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 109.297 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.57 165.37 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.5 m -93.66 164.02 13.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.314 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -53.74 161.02 1.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.72 87.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.74 131.06 47.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.57 ' CD1' ' HB3' ' A' ' 18' ' ' GLU . 30.9 m0 -99.83 171.3 7.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 107.991 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.543 ' CD1' HD13 ' A' ' 37' ' ' LEU . 96.9 m95 -126.52 149.93 49.08 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.658 ' O ' ' HB1' ' A' ' 46' ' ' ALA . . . -155.15 178.99 9.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.739 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 18.9 mt -93.65 162.23 14.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.533 0.206 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.31 -169.33 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 p -90.44 159.84 16.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.011 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.24 -35.83 63.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.5 ' N ' HD13 ' A' ' 5' ' ' ILE . 4.6 mm -47.64 -39.02 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.653 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.2 mt-30 -58.28 -51.31 70.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.231 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.067 HG13 HG21 ' A' ' 22' ' ' ILE . 60.7 t -68.15 -48.06 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.17 . . . . 0.0 109.363 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -54.4 -44.94 72.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -65.16 -51.15 62.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.968 ' HG ' HG21 ' A' ' 25' ' ' THR . 4.2 mm? -57.01 -43.36 81.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.672 HD22 ' HA ' ' A' ' 76' ' ' ALA . 7.7 mt -56.53 -31.99 64.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.59 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.28 -55.7 3.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.4 mt -53.75 -59.51 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' LEU . 11.0 mmm180 -82.35 3.56 27.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.363 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.444 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 55.15 -141.76 36.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.431 1.082 . . . . 0.0 110.982 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.521 ' HA ' ' HB2' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -69.52 120.47 15.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 0.77 . . . . 0.0 110.339 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 16' ' ' ARG . 82.6 mmm -152.53 175.51 12.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 6.6 tp10 -91.98 161.81 14.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.67 90.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.98 -40.3 4.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -51.93 15.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.067 HG21 HG13 ' A' ' 7' ' ' VAL . 19.9 mt -54.26 -43.35 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 28' ' ' THR . 13.7 p -59.84 -43.66 94.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.968 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -44.39 97.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.968 HG21 ' HG ' ' A' ' 10' ' ' LEU . 3.7 m -47.26 -45.44 23.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -107.57 23.18 14.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' LEU . 57.1 t30 37.85 32.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -80.02 162.98 60.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.365 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 134.4 17.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.453 1.765 . . . . 0.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.485 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -41.73 -52.26 8.74 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.01 52.25 3.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.3 tpt -142.65 -45.2 0.31 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 111.068 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.716 HD12 HG21 ' A' ' 7' ' ' VAL . 23.2 mm -76.84 -31.29 19.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -61.36 -43.87 98.13 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.7 -45.16 95.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -52.4 61.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.512 ' CD1' HG22 ' A' ' 33' ' ' ILE . 25.6 mt -53.85 -38.53 64.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.95 -35.93 73.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.45 -49.77 51.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.248 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.3 mt -59.37 -41.24 88.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HB2' ' CZ3' ' A' ' 75' ' ' TRP . 1.4 tt0 -63.06 -52.09 64.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.2 t -53.99 -51.16 64.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.1 mtp -62.5 -48.41 79.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.069 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.76 45.73 0.95 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -100.23 -53.59 3.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.652 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -96.14 170.96 8.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.06 152.21 36.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.485 ' C ' HD12 ' A' ' 49' ' ' ILE . 7.0 mtt180 -85.19 139.17 31.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.516 HD11 ' HB3' ' A' ' 76' ' ' ALA . 3.6 mp -119.77 146.17 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -103.68 150.41 24.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.491 ' HG3' ' CE2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -115.13 169.02 9.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -43.01 121.58 2.97 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 111.031 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.98 164.82 19.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -40.82 157.83 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.6 m -147.8 -58.22 0.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 62.16 122.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.5 p -75.5 160.1 30.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.35 -140.56 4.31 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.59 1.181 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.22 164.12 25.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 110.025 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.4 p -70.24 150.42 46.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 108.355 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.64 117.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.1 p -173.77 169.68 4.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 110.038 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 13.2 t -163.74 72.67 1.8 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 108.346 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.491 1.785 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -124.82 -150.83 0.46 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.081 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 157.81 142.98 3.53 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.67 -179.12 2.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 0.0 109.242 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -42.62 158.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 92.7 m -76.84 157.26 31.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -49.48 160.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.238 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.18 90.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.548 1.155 . . . . 0.0 110.352 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 39.9 mt-10 -61.67 139.68 58.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.546 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 38.0 m0 -93.03 169.2 10.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 108.041 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.415 ' CZ3' ' HB2' ' A' ' 41' ' ' GLU . 95.6 m95 -123.56 148.7 46.09 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.672 ' HA ' HD22 ' A' ' 11' ' ' LEU . . . -156.03 179.25 9.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.59 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 5.8 mt -96.76 152.8 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.454 0.168 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.96 148.17 24.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 p 175.98 161.14 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.595 ' CD2' HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -55.84 -38.21 69.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.589 1.181 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.4 mt -55.56 -43.63 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -57.79 -53.07 62.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.971 HG22 ' CG2' ' A' ' 22' ' ' ILE . 46.4 t -65.59 -47.81 84.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.671 HH21 HD22 ' A' ' 40' ' ' LEU . 52.5 mtt180 -53.39 -45.26 69.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.69 -51.11 64.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.524 ' HA ' HD13 ' A' ' 10' ' ' LEU . 1.2 mm? -57.6 -51.1 70.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.799 HD21 HD11 ' A' ' 22' ' ' ILE . 9.2 mt -54.75 -26.37 33.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.524 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.2 -59.14 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 13' ' ' LEU . 3.1 mm? -55.34 -59.7 4.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.495 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 5.0 mpt_? -74.51 -11.61 60.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.367 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.432 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 69.15 -146.1 43.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.444 1.09 . . . . 0.0 110.943 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' HD3' HG21 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -64.82 125.7 25.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.754 . . . . 0.0 110.288 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.3 mmt -158.19 175.19 14.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.407 ' OE1' ' HA ' ' A' ' 18' ' ' GLU . 6.5 tp10 -91.28 161.7 14.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.381 1.05 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -66.18 -41.15 90.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.89 -39.32 3.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -45.52 26.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.605 1.191 . . . . 0.0 110.278 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.971 ' CG2' HG22 ' A' ' 7' ' ' VAL . 38.1 mt -57.44 -50.12 78.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' THR . 68.1 p -58.63 -38.74 78.7 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.7 -44.81 93.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.592 HG22 HD23 ' A' ' 26' ' ' LEU . 1.1 m -50.73 -45.11 58.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.592 HD23 HG22 ' A' ' 25' ' ' THR . 0.1 OUTLIER -105.55 20.7 18.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 23' ' ' SER . 1.6 t-20 38.84 31.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.45 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -79.73 163.14 59.99 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.95 21.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.478 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -43.13 -53.28 10.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -75.03 53.18 3.27 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.779 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.55 -46.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.638 HD12 HG21 ' A' ' 7' ' ' VAL . 22.7 mm -75.8 -34.51 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -57.44 -42.06 81.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.52 -46.43 83.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -49.95 72.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.534 HD13 ' CD1' ' A' ' 75' ' ' TRP . 28.8 mt -55.1 -40.65 70.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -45.57 92.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.238 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -61.22 -50.25 73.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.671 HD22 HH21 ' A' ' 8' ' ' ARG . 59.6 mt -58.46 -38.93 78.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.36 -52.71 64.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.8 t -55.69 -46.04 77.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.952 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.5 mtt -66.95 -49.38 65.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.31 47.68 0.85 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -100.32 -59.8 1.64 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.535 0.785 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.11 179.35 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.3 m -135.72 157.72 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.94 138.99 30.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.476 ' HA ' HD13 ' A' ' 49' ' ' ILE . 17.3 mm -117.82 151.71 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -111.92 153.62 26.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.54 165.36 11.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -46.62 107.08 0.64 Allowed Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.483 1.114 . . . . 0.0 110.363 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -85.2 163.68 18.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -142.13 92.21 0.18 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.563 1.165 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.9 t -174.7 152.62 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -53.26 121.29 7.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.0 p -114.65 100.58 8.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.042 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.27 156.64 0.18 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -114.79 114.31 25.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 0.0 110.043 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 76.25 -62.92 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 108.24 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.36 142.65 29.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.2 m -105.66 165.28 11.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -84.36 166.64 31.8 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 108.273 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -162.34 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.408 1.741 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.98 106.78 9.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.239 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 176.76 75.21 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.16 152.04 16.45 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.465 0.744 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.43 120.03 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.2 m -77.76 150.98 34.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 108.281 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -55.5 160.84 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.63 88.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.43 139.49 58.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.426 ' HB2' HG22 ' A' ' 49' ' ' ILE . 14.3 m0 -104.0 172.04 7.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.534 ' CD1' HD13 ' A' ' 37' ' ' LEU . 96.5 m95 -123.76 148.8 46.31 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.97 174.13 15.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.601 1.188 . . . . 0.0 109.342 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.524 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 14.8 mt -87.23 157.58 19.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.494 0.188 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.52 ' HB1' HD13 ' A' ' 26' ' ' LEU . . . -80.67 178.1 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 p -173.0 159.31 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.931 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.433 HD23 ' CG1' ' A' ' 7' ' ' VAL . 0.8 OUTLIER -75.86 -34.37 60.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.8 mm -62.9 -26.99 42.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.684 ' OE1' HD22 ' A' ' 26' ' ' LEU . 4.2 mt-30 -69.18 -54.67 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.049 HG23 HG21 ' A' ' 22' ' ' ILE . 7.4 p -62.65 -34.94 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.437 ' O ' HD11 ' A' ' 77' ' ' LEU . 3.5 mtp180 -67.94 -41.63 82.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -73.63 -46.13 48.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.544 ' HG ' HG21 ' A' ' 25' ' ' THR . 2.6 mm? -57.44 -49.98 74.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.655 HD11 HD21 ' A' ' 37' ' ' LEU . 12.3 mt -55.95 -26.4 47.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.838 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -85.92 -59.19 2.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 13' ' ' LEU . 3.9 mm? -55.64 -59.81 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.516 ' HD3' HD13 ' A' ' 10' ' ' LEU . 5.4 mpt_? -73.93 -12.19 60.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 69.76 -146.77 44.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -65.81 120.45 13.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 12.4 mmt -153.82 175.23 13.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' OE1' ' CB ' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -92.1 163.86 13.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.57 -38.2 83.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.416 ' CB ' ' OE1' ' A' ' 18' ' ' GLU . . . -48.69 -38.05 20.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -52.17 13.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.049 HG21 HG23 ' A' ' 7' ' ' VAL . 19.9 mt -56.4 -51.44 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.44 ' HB2' HG22 ' A' ' 28' ' ' THR . 93.3 p -53.49 -41.22 66.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -44.64 96.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.069 . . . . 0.0 110.3 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.544 HG21 ' HG ' ' A' ' 10' ' ' LEU . 90.2 m -45.6 -39.58 7.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.684 HD22 ' OE1' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -112.34 25.07 11.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LEU . 1.2 t30 37.75 32.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.265 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -83.31 163.11 51.67 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.441 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.01 19.84 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.442 1.759 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -44.63 -51.89 19.74 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.4 Cg_endo -74.92 53.29 3.26 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.526 1.803 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.87 -46.18 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.406 HD11 HD11 ' A' ' 26' ' ' LEU . 23.1 mm -76.5 -38.27 31.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -53.64 -40.0 65.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.86 -46.52 87.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.39 -49.0 70.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.655 HD21 HD11 ' A' ' 11' ' ' LEU . 20.6 mt -55.86 -38.35 69.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -45.68 88.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -59.03 -49.15 78.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 110.293 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.9 mt -56.63 -43.63 80.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.68 -53.83 53.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 t -53.99 -48.47 70.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.938 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.7 mtt -65.34 -45.67 83.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.39 44.53 1.45 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -100.63 -54.92 2.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.777 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.18 172.77 8.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 109.23 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.1 m -126.61 154.14 36.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -87.57 139.04 30.94 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.592 HG13 ' HB2' ' A' ' 76' ' ' ALA . 23.2 mm -118.33 151.78 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -113.8 152.88 30.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.148 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.48 170.26 8.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.51 120.17 42.54 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 111.048 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.99 166.15 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.82 107.23 2.76 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 31.6 p -94.26 141.35 28.66 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.02 109.09 16.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.3 m -145.85 83.47 1.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.035 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 128.02 138.56 4.65 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.452 1.095 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -125.79 102.55 7.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.979 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.55 127.98 41.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 108.247 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -51.3 144.39 9.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.89 121.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 6.7 t -155.4 98.85 2.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 108.269 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -162.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.817 . . . . 0.0 111.06 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.2 -149.59 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.247 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 179.77 -105.17 0.19 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -51.97 148.12 6.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.417 0.716 . . . . 0.0 109.236 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.14 176.38 2.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 94.6 m -57.11 157.78 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 108.255 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -55.88 160.77 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.621 1.201 . . . . 0.0 109.262 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.45 90.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -60.06 139.86 57.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 110.341 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -103.13 170.76 7.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 107.988 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.527 ' CD1' HD13 ' A' ' 37' ' ' LEU . 95.6 m95 -120.85 151.76 39.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 107.99 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.592 ' HB2' HG13 ' A' ' 49' ' ' ILE . . . -155.8 175.05 14.44 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.838 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 31.8 mt -92.55 157.97 16.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mtt . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.481 0.181 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.03 139.73 1.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 p -167.23 167.06 14.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.048 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.675 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -67.74 -35.37 78.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.82 -33.0 59.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.465 ' O ' HD23 ' A' ' 10' ' ' LEU . 5.3 mt-30 -62.63 -53.4 55.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.04 HG23 HG21 ' A' ' 22' ' ' ILE . 5.2 p -67.38 -38.37 80.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.413 ' HE ' HD22 ' A' ' 4' ' ' LEU . 6.8 mtt180 -64.15 -38.25 90.37 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -75.31 -41.95 55.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.594 1.184 . . . . 0.0 109.247 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.633 HD11 HG21 ' A' ' 25' ' ' THR . 3.3 mm? -63.22 -51.48 66.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.599 1.187 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.76 HD11 HD21 ' A' ' 37' ' ' LEU . 9.1 mt -57.44 -24.45 55.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.471 ' N ' HD11 ' A' ' 77' ' ' LEU . . . -86.43 -59.24 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.244 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 13' ' ' LEU . 4.0 mm? -56.41 -59.92 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.54 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.5 OUTLIER -73.13 -11.45 60.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.88 -149.02 51.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 -61.12 126.01 25.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 0.786 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.444 ' CE ' ' HG3' ' A' ' 21' ' ' GLN . 9.8 tpt -173.76 151.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 0.7 OUTLIER -59.78 156.36 14.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.67 -38.4 83.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.29 -37.66 3.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' HG3' ' CE ' ' A' ' 17' ' ' MET . 0.1 OUTLIER -72.99 -52.52 14.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.04 HG21 HG23 ' A' ' 7' ' ' VAL . 4.4 mt -57.06 -47.36 83.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' THR . 95.9 p -56.18 -39.49 72.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.142 . . . . 0.0 109.977 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.14 -44.94 90.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.633 HG21 HD11 ' A' ' 10' ' ' LEU . 87.7 m -45.03 -47.26 11.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.624 HD11 HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -99.55 23.67 9.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.387 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' LEU . 5.6 t-20 39.1 30.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.451 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -83.91 162.88 51.0 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 137.89 22.18 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.471 1.774 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -46.83 -51.88 35.92 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 110.339 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.6 Cg_endo -74.96 52.96 3.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.801 . . . . 0.0 111.088 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.77 -45.07 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.624 HD11 HD11 ' A' ' 26' ' ' LEU . 31.9 mm -78.24 -37.83 22.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.167 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -56.16 -39.81 72.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.71 -46.67 88.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.83 -47.73 79.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 111.026 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.76 HD21 HD11 ' A' ' 11' ' ' LEU . 21.1 mt -55.37 -41.57 72.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -45.63 93.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.6 1.187 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -60.95 -50.13 74.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.675 HD11 ' CD2' ' A' ' 4' ' ' LEU . 64.7 mt -58.59 -42.21 87.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.96 -50.89 71.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.234 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -53.95 -46.44 71.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.982 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 mtt -64.37 -54.53 31.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.5 40.63 0.49 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -101.57 -64.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.18 173.6 7.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.471 HG11 ' HD2' ' A' ' 78' ' ' ARG . 20.2 m -136.11 157.42 37.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.514 ' HD2' ' CH2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -88.58 139.45 30.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' TRP . 49.7 mm -120.2 152.4 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.389 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.07 161.04 18.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.573 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 2.1 mt-10 -115.26 170.46 8.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.334 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.77 101.95 0.26 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.187 . . . . 0.0 110.258 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.475 1.776 . . . . 0.0 111.05 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.74 169.18 8.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -78.51 -170.16 36.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.1 t -98.85 134.0 42.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -102.49 179.73 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.95 152.76 9.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.976 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -137.64 152.37 21.62 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.567 1.167 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.4 t -104.73 115.25 30.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.976 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 67.48 103.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 108.267 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.4 mttp 56.49 178.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.6 p -176.58 165.27 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.75 154.51 44.78 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 108.237 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.46 1.769 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -129.14 -150.65 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.18 106.82 0.27 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.433 1.083 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.86 151.61 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.8 135.03 55.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.6 p -59.36 155.28 14.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 108.347 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -53.71 160.87 1.23 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.75 90.04 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 110.263 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -61.45 136.75 58.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.573 ' CZ2' ' CD ' ' A' ' 51' ' ' GLU . 18.5 m0 -95.6 170.06 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 108.07 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.67 ' CG ' HD13 ' A' ' 37' ' ' LEU . 96.2 m95 -124.13 149.52 46.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 108.067 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.26 168.54 26.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.471 HD11 ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -100.51 160.79 14.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.162 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HD2' HG11 ' A' ' 47' ' ' VAL . 5.0 tpt180 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.502 0.191 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.44 173.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.499 ' O ' HG12 ' A' ' 7' ' ' VAL . 4.1 p -165.92 161.7 17.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.056 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.638 HD23 HD11 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -61.51 -36.96 82.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.1 mm -70.31 -27.35 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.62 ' OE1' HD22 ' A' ' 26' ' ' LEU . 2.1 mt-30 -75.82 -53.92 7.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.997 HG23 HG21 ' A' ' 22' ' ' ILE . 6.1 p -62.85 -34.71 67.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 8' ' ' ARG . 6.1 mtp-105 -66.7 -53.69 30.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -55.84 -47.13 77.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.541 HD12 ' HG2' ' A' ' 14' ' ' ARG . 1.4 mm? -61.92 -51.02 69.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.439 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 13.1 mt -56.4 -24.99 48.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.349 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.514 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.91 -59.65 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -58.32 -60.21 4.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.544 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -75.01 -6.65 50.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.439 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 68.24 -150.71 51.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.413 1.071 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.49 139.27 58.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.778 . . . . 0.0 110.335 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 tpt -177.33 148.7 0.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.503 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 0.9 OUTLIER -63.92 147.93 50.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 110.345 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.643 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . . . -59.11 -40.76 86.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.61 -36.89 2.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -77.13 -51.31 11.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 110.251 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.997 HG21 HG23 ' A' ' 7' ' ' VAL . 5.6 mt -54.57 -51.04 54.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.432 ' HB2' HG22 ' A' ' 28' ' ' THR . 28.8 p -50.18 -42.31 51.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.394 1.058 . . . . 0.0 110.029 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.36 -45.55 87.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.226 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.2 m -60.66 -43.76 97.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.473 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.62 HD22 ' OE1' ' A' ' 6' ' ' GLN . 9.3 mt -83.17 6.81 18.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 48.63 51.35 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.462 ' CG2' HG12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -124.84 164.22 32.49 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.4 Cg_endo -74.95 133.64 16.91 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 111.041 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -41.59 -51.52 8.95 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.351 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -75.01 53.91 3.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.782 . . . . 0.0 111.008 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.64 -46.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.462 HG12 ' CG2' ' A' ' 28' ' ' THR . 49.5 mm -75.23 -36.2 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -52.48 -38.07 58.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.73 -47.0 80.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.416 ' SD ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -62.31 -52.36 63.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.643 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 13.6 mt -53.7 -41.03 66.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -42.0 97.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 110.248 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -66.57 -50.79 61.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.638 HD11 HD23 ' A' ' 4' ' ' LEU . 85.0 mt -56.99 -46.13 82.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -50.66 71.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.248 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.8 t -54.37 -45.79 72.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 110.015 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 mtp -69.96 -45.92 66.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.7 46.78 1.17 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.2 -43.9 5.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.88 172.0 7.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.0 m -127.4 158.1 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.22 139.12 30.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.17 . . . . 0.0 110.272 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.595 HG13 ' HB2' ' A' ' 76' ' ' ALA . 5.0 mm -118.82 147.24 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -110.97 150.68 28.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.263 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.76 171.04 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.18 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -43.87 138.62 3.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 52' ' ' GLU . 18.5 Cg_endo -74.93 -162.38 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.0 t70 178.37 139.94 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.44 160.68 9.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.57 1.169 . . . . 0.0 111.031 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.1 t -160.69 134.5 6.95 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.14 133.26 44.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.9 m -153.53 145.46 23.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -114.4 66.16 0.28 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.579 1.174 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 m -122.72 169.35 11.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 0.0 110.028 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 32.0 p -162.45 163.66 27.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 108.292 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.95 155.35 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.55 126.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.6 p -172.02 147.49 1.91 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 108.311 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.799 . . . . 0.0 111.036 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -135.02 107.06 7.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.21 153.4 6.09 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -169.47 158.62 8.02 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.535 0.785 . . . . 0.0 109.398 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 68' ' ' LYS . . . 179.15 156.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 99.2 m -80.66 149.84 29.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 108.276 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.73 161.82 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.83 91.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -59.98 135.53 57.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.503 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 28.2 m0 -100.26 172.13 7.36 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.471 ' HB3' HD22 ' A' ' 37' ' ' LEU . 96.7 m95 -124.97 147.72 48.77 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.595 ' HB2' HG13 ' A' ' 49' ' ' ILE . . . -153.59 178.54 9.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.514 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 6.8 mt -97.91 158.5 15.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.365 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.513 0.197 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.54 144.22 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 p 170.7 162.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 110.008 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.731 ' CD2' HD11 ' A' ' 40' ' ' LEU . 4.5 mt -56.47 -37.98 71.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.461 ' N ' HD13 ' A' ' 5' ' ' ILE . 5.2 mm -56.8 -41.56 75.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.579 ' NE2' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -58.72 -53.31 59.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.81 HG22 ' CG2' ' A' ' 22' ' ' ILE . 76.6 t -66.25 -48.25 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -52.37 -40.06 61.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -75.1 -47.13 30.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.601 1.188 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.806 ' HG ' HG21 ' A' ' 25' ' ' THR . 1.4 mm? -57.68 -50.95 71.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.658 HD21 HD11 ' A' ' 22' ' ' ILE . 10.3 mt -55.0 -25.97 33.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.478 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.26 -59.12 2.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 13' ' ' LEU . 4.0 mm? -56.57 -59.81 4.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 4.8 mpt_? -73.99 -12.2 60.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.26 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.434 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 71.49 -142.72 34.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.96 122.07 24.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.7 mmt -153.51 175.13 13.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.527 ' HB3' ' CD1' ' A' ' 74' ' ' TRP . 4.0 pm0 -83.27 161.23 21.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.484 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -67.88 -40.43 83.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.55 -38.43 6.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.363 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -50.17 19.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.81 ' CG2' HG22 ' A' ' 7' ' ' VAL . 17.0 mt -53.04 -51.43 38.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.419 ' HB2' HG22 ' A' ' 28' ' ' THR . 51.9 p -55.3 -42.01 73.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -58.95 -44.97 91.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.806 HG21 ' HG ' ' A' ' 10' ' ' LEU . 48.0 m -44.87 -47.69 11.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.465 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.663 HD23 ' HB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -106.01 25.43 10.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LEU . 1.2 t30 37.12 34.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -85.4 162.78 47.35 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.44 20.3 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.58 1.832 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -43.17 -52.59 12.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -74.99 53.56 3.37 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.394 1.734 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -143.06 -44.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.77 HD12 HG21 ' A' ' 7' ' ' VAL . 21.7 mm -77.88 -35.4 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -57.02 -38.57 73.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.98 98.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.458 ' SD ' HD13 ' A' ' 33' ' ' ILE . 4.2 mtp -73.46 -41.47 63.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.692 ' CD1' HG22 ' A' ' 33' ' ' ILE . 22.5 mt -61.07 -33.65 73.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.215 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.61 -45.14 69.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.113 . . . . 0.0 110.248 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -61.38 -46.82 88.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.731 HD11 ' CD2' ' A' ' 4' ' ' LEU . 5.5 mt -59.07 -43.96 91.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -57.39 -51.73 68.25 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.148 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -54.05 -50.12 67.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.979 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 mtt -62.64 -52.83 61.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.45 45.0 0.53 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -100.62 -66.25 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 109.348 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.91 175.69 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.6 m -135.3 155.79 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.18 134.08 33.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 49' ' ' ILE . 24.2 mm -110.65 151.21 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -114.59 152.36 31.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.452 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 2.0 mt-10 -106.65 170.54 7.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.359 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.72 115.07 1.92 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 110.227 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 -162.5 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.794 . . . . 0.0 110.982 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -107.16 161.33 14.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -166.59 115.92 0.66 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.1 m -145.9 151.01 37.16 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.18 126.25 27.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.73 171.98 12.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.53 151.17 7.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.7 m 40.94 80.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.941 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -158.89 151.51 21.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 108.276 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.51 -64.92 1.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.7 t 179.91 100.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.978 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 14.6 p -120.83 147.2 45.5 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 108.284 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.792 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.07 -149.48 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 122.84 59.68 0.2 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -134.05 177.03 8.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 0.728 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.63 138.87 51.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 92.1 m -84.7 149.4 25.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 108.326 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -55.86 161.11 2.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.54 89.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -61.57 133.51 55.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.527 ' CD1' ' HB3' ' A' ' 18' ' ' GLU . 19.6 m0 -98.51 170.96 8.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 108.016 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -124.6 146.86 48.83 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.96 175.53 13.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 17.3 mt -92.9 156.29 17.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.5 tpt85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.4 mtp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.479 0.181 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -46.2 170.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.23 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.519 ' HB2' HD12 ' A' ' 5' ' ' ILE . 2.7 p -177.88 164.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.05 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 8' ' ' ARG . 0.8 OUTLIER -72.83 -37.36 67.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.234 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.581 ' H ' HD12 ' A' ' 5' ' ' ILE . 2.3 mp -57.51 -30.55 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.613 ' O ' HD23 ' A' ' 10' ' ' LEU . 2.4 mt-30 -63.55 -53.56 49.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.069 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.047 HG23 HG21 ' A' ' 22' ' ' ILE . 6.1 p -68.12 -38.06 79.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.476 ' O ' HD11 ' A' ' 77' ' ' LEU . 18.6 mtt85 -61.41 -39.73 91.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -75.03 -48.02 26.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 6' ' ' GLN . 4.1 mm? -57.32 -46.0 83.68 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.67 HD22 ' HA ' ' A' ' 76' ' ' ALA . 8.2 mt -54.38 -31.32 54.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.674 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.55 -56.27 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.3 mt -53.69 -59.63 4.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 10' ' ' LEU . 11.2 mmm180 -82.46 2.98 30.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.471 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 57.9 -147.46 37.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.09 122.05 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.743 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 23.6 mmt -154.31 175.36 13.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.554 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 7.2 tp10 -86.43 153.63 21.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 18' ' ' GLU . . . -63.45 -47.41 81.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.75 -38.06 3.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -71.74 -51.77 21.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.047 HG21 HG23 ' A' ' 7' ' ' VAL . 11.7 mt -58.93 -43.37 88.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 28' ' ' THR . 80.0 p -57.95 -40.96 81.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -44.9 88.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.325 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.468 HG21 ' HG ' ' A' ' 10' ' ' LEU . 6.3 m -45.99 -45.52 15.82 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.501 1.126 . . . . 0.0 110.483 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.555 HD11 HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -100.38 23.19 10.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' LEU . 1.8 m-20 39.66 29.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -85.04 162.54 49.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.408 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 137.83 22.43 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.393 1.733 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.517 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -48.94 -50.49 61.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.328 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.5 Cg_endo -74.95 52.4 3.03 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 111.056 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.0 tpt -145.33 -44.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.555 HD11 HD11 ' A' ' 26' ' ' LEU . 22.9 mm -79.27 -35.55 17.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -59.13 -43.5 91.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.72 -46.83 86.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -49.68 75.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.562 HD13 ' CD1' ' A' ' 75' ' ' TRP . 20.3 mt -54.09 -43.85 70.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.235 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -45.5 87.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.125 . . . . 0.0 110.245 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -60.67 -48.69 80.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.445 HD11 ' CD2' ' A' ' 4' ' ' LEU . 46.3 mt -57.81 -45.35 86.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.596 1.185 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -54.22 -50.16 67.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.8 t -54.05 -48.67 70.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.01 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 mtm -64.84 -49.51 70.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 113.35 48.61 0.59 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -100.95 -69.16 0.78 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 0.739 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.99 178.51 6.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.6 m -135.64 157.1 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.532 ' HG2' ' CZ3' ' A' ' 75' ' ' TRP . 0.1 OUTLIER -86.99 139.41 30.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 74' ' ' TRP . 3.7 mm -117.51 151.78 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -113.38 151.55 31.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.403 1.065 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -100.38 172.18 7.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -39.61 110.45 0.63 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 110.245 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -162.23 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.779 . . . . 0.0 110.984 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.45 21.54 2.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.601 1.188 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.81 -100.3 0.49 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.511 1.132 . . . . 0.0 111.083 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 74.98 152.62 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -95.22 154.52 17.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.3 136.13 27.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.92 -109.51 0.43 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.125 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.04 86.01 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 110.018 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.86 -62.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 108.261 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.86 165.05 9.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.58 168.66 12.85 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.549 1.156 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.5 m -60.0 149.86 72.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.284 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.501 1.79 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -128.67 -150.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -154.81 -63.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.566 1.166 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.54 135.52 11.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 61.21 91.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.4 p -93.49 160.65 14.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 108.368 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -54.32 160.91 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.22 83.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.203 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.86 135.93 37.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.174 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.554 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 19.4 m0 -100.92 172.02 7.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.999 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.562 ' CD1' HD13 ' A' ' 37' ' ' LEU . 95.4 m95 -125.78 147.92 49.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 108.014 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.67 ' HA ' HD22 ' A' ' 11' ' ' LEU . . . -155.98 166.73 32.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.674 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 33.7 mt -82.57 156.42 23.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.3 tpt85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.542 0.211 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.928 ' CB ' HD13 ' A' ' 26' ' ' LEU . . . -56.84 -167.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 p -146.65 165.39 29.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.595 HD22 ' SD ' ' A' ' 36' ' ' MET . 0.1 OUTLIER -62.86 -34.51 77.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.2 mm -60.8 -35.12 62.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.36 -54.71 36.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.04 HG23 HG21 ' A' ' 22' ' ' ILE . 7.3 p -65.42 -36.93 78.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -67.92 -48.39 66.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.64 ' OD1' HD22 ' A' ' 13' ' ' LEU . 17.7 t0 -59.12 -50.38 74.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.561 HD12 ' HG2' ' A' ' 14' ' ' ARG . 1.4 mm? -58.95 -51.05 71.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.594 HD11 HD21 ' A' ' 37' ' ' LEU . 11.8 mt -55.77 -25.36 40.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.638 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.92 -59.68 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.64 HD22 ' OD1' ' A' ' 9' ' ' ASP . 7.1 mp -57.73 -60.27 3.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.561 ' HG2' HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -74.38 -7.75 53.94 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 67.28 -141.68 39.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.03 137.48 53.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 110.319 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 45.1 tpp -176.04 160.39 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.457 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 2.1 tm-20 -77.05 165.09 25.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.411 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -68.18 -37.5 81.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.64 -37.86 2.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -77.25 -52.17 9.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.04 HG21 HG23 ' A' ' 7' ' ' VAL . 8.6 mt -54.22 -50.9 52.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.429 ' HB2' HG22 ' A' ' 28' ' ' THR . 59.5 p -55.27 -41.56 72.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -45.42 90.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.527 ' HB ' HD23 ' A' ' 26' ' ' LEU . 44.7 m -50.02 -45.42 51.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 110.424 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.928 HD13 ' CB ' ' A' ' 2' ' ' ALA . 0.1 OUTLIER -103.32 20.81 17.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' LEU . 2.1 t30 38.84 32.23 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.434 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -83.49 163.19 50.84 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.361 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 137.67 22.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 111.038 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -45.34 -52.22 22.75 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -75.05 52.7 3.14 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.575 1.829 . . . . 0.0 111.059 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.8 tpt -142.77 -47.97 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.041 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.697 HD11 HD11 ' A' ' 26' ' ' LEU . 44.8 mm -74.41 -37.56 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -53.15 -41.61 65.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.15 -47.12 86.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.595 ' SD ' HD22 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -62.98 -49.97 72.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.594 HD21 HD11 ' A' ' 11' ' ' LEU . 20.0 mt -54.38 -40.37 68.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -42.49 96.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -60.73 -50.55 73.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.56 HD11 HD11 ' A' ' 4' ' ' LEU . 4.0 mt -60.01 -39.03 84.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.52 -50.76 68.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.235 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 t -53.81 -45.84 70.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.005 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.3 mtp -70.9 -47.55 58.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.963 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.46 47.09 0.88 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 0.0 111.058 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -102.07 -43.35 5.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.589 0.817 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.37 176.74 5.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.4 m -133.37 153.23 36.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -83.48 139.05 33.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.532 HG13 ' HB2' ' A' ' 76' ' ' ALA . 3.6 mm -119.52 151.33 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -115.11 152.83 31.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.3 171.69 8.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -46.34 151.41 0.98 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.554 1.818 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -174.61 169.23 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 109.242 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 159.25 148.67 5.28 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.05 -55.21 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -91.89 174.48 7.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.6 m -152.73 -59.75 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.027 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.81 161.91 35.33 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 111.052 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 m -62.04 130.91 47.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.797 . . . . 0.0 110.005 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -171.87 124.84 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 108.35 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp 63.45 165.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.3 m -51.83 151.72 3.33 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.619 1.199 . . . . 0.0 109.986 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.45 117.31 36.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -162.23 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.791 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -124.14 106.46 10.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.23 93.69 1.22 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -95.91 169.88 9.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 68' ' ' LYS . . . 67.35 142.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.3 p -90.91 155.74 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 108.344 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.52 162.32 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 89.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -73.56 134.52 43.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.457 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 17.5 m0 -99.77 172.02 7.52 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -123.71 148.82 46.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.532 ' HB2' HG13 ' A' ' 49' ' ' ILE . . . -152.74 174.09 14.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.638 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 16.0 mt -90.05 158.76 17.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 mtt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.503 0.192 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.23 -178.2 4.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.222 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 p 172.36 162.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 109.96 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -59.38 -37.98 79.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.436 ' N ' HD13 ' A' ' 5' ' ' ILE . 5.8 mm -53.82 -41.44 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.563 ' OE1' HD22 ' A' ' 26' ' ' LEU . 1.6 mt-30 -58.29 -49.9 75.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.895 HG13 HG21 ' A' ' 22' ' ' ILE . 78.0 t -68.92 -46.06 79.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -58.17 -51.15 70.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -56.56 -51.28 69.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.386 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.558 HD12 ' HG2' ' A' ' 14' ' ' ARG . 1.3 mm? -60.04 -51.44 69.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.597 ' CD2' HD11 ' A' ' 22' ' ' ILE . 9.8 mt -55.24 -25.02 30.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.372 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.699 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -87.12 -59.25 2.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.373 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.19 -60.4 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.233 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.558 ' HG2' HD12 ' A' ' 10' ' ' LEU . 4.5 mpt_? -72.66 -8.75 56.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.42 -139.47 45.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.569 1.168 . . . . 0.0 111.053 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.448 ' HA ' ' HB2' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -67.08 121.39 15.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.757 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -161.18 147.7 14.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.599 ' O ' HD12 ' A' ' 22' ' ' ILE . 4.0 tp10 -63.38 153.73 34.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.605 1.191 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 18' ' ' GLU . . . -63.73 -42.92 97.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.98 -39.32 4.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -51.39 12.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.895 HG21 HG13 ' A' ' 7' ' ' VAL . 3.3 mt -55.06 -53.72 31.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 p -54.17 -44.64 71.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -44.99 73.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.524 ' HB ' HD23 ' A' ' 26' ' ' LEU . 71.8 m -44.73 -37.37 3.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.563 HD22 ' OE1' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -113.79 35.19 4.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 26' ' ' LEU . 13.1 t-20 39.71 30.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.609 HG23 ' HD2' ' A' ' 29' ' ' PRO . 22.5 m -83.16 145.38 48.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.609 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.04 136.33 20.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.472 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -39.71 -53.11 4.67 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 17.9 Cg_endo -75.0 53.76 3.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.541 1.811 . . . . 0.0 110.945 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.98 -44.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.607 HD12 HG21 ' A' ' 7' ' ' VAL . 43.7 mm -76.52 -33.16 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -56.01 -40.39 73.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.365 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.58 -47.22 86.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.243 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -43.19 94.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.571 ' HA ' HD12 ' A' ' 40' ' ' LEU . 25.4 mt -59.24 -45.64 90.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -43.13 68.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -56.52 -49.13 75.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 37' ' ' LEU . 5.4 mt -60.39 -41.91 94.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.3 -50.12 74.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -47.11 71.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.2 mtp -70.21 -45.34 66.77 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.501 1.126 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.26 47.46 0.93 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -102.45 -56.63 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.374 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.579 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -94.19 173.89 7.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.9 m -135.73 157.21 38.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.463 ' HG2' ' CZ3' ' A' ' 75' ' ' TRP . 0.6 OUTLIER -84.38 139.18 32.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' TRP . 33.8 mm -117.28 152.08 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -116.26 151.97 34.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.57 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 1.6 mt-10 -107.53 170.04 8.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.53 116.6 1.11 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 110.361 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 111.061 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -115.74 148.52 39.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.344 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -140.21 148.75 20.34 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.467 1.105 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 178.22 159.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.44 118.58 23.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.6 m -96.52 142.88 28.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 157.24 63.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.76 124.46 49.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 109.991 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.8 m -56.21 -62.86 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 108.375 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -136.51 115.96 12.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.32 140.93 4.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.4 p -61.91 149.35 85.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 108.347 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.565 1.824 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.49 -149.89 0.43 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.447 1.092 . . . . 0.0 110.233 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 177.0 -91.75 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.095 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt 52.9 175.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 109.229 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.65 168.89 11.44 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.2 p -73.4 156.15 38.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 108.282 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.18 161.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.1 90.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.372 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -63.33 133.51 54.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.57 ' CZ2' ' CD ' ' A' ' 51' ' ' GLU . 21.7 m0 -97.94 171.51 8.23 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.463 ' CZ3' ' HG2' ' A' ' 48' ' ' ARG . 95.5 m95 -124.53 147.31 48.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.579 ' O ' ' HB1' ' A' ' 46' ' ' ALA . . . -156.17 178.31 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.699 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 10.5 mt -92.14 167.4 12.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.361 179.921 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.439 0.161 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.08 141.27 8.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.226 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 p -170.89 163.78 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.765 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -57.55 -37.33 72.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.452 ' N ' HD13 ' A' ' 5' ' ' ILE . 5.5 mm -55.04 -42.57 65.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.168 . . . . 0.0 109.246 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.486 ' OE1' HD22 ' A' ' 26' ' ' LEU . 2.1 mt-30 -58.4 -53.15 61.6 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.05 HG22 ' CG2' ' A' ' 22' ' ' ILE . 17.7 t -65.73 -47.16 86.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -55.07 -40.57 70.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.07 -46.5 34.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.794 ' HG ' HG21 ' A' ' 25' ' ' THR . 2.2 mm? -56.75 -51.07 70.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.498 ' CB ' HD21 ' A' ' 77' ' ' LEU . 9.0 mt -56.05 -24.97 42.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.475 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.67 -59.14 2.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 mp -56.96 -59.74 4.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.229 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.483 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 5.1 mpt_? -73.66 -10.01 59.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.9 -148.19 51.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 117.94 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 110.229 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.7 mmt -154.17 162.5 41.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.661 ' OE2' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -68.3 156.19 38.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.31 -46.01 78.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.661 ' HB3' ' OE2' ' A' ' 18' ' ' GLU . . . -43.61 -37.2 2.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.447 ' N ' ' OE1' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -70.2 -49.47 49.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.05 ' CG2' HG22 ' A' ' 7' ' ' VAL . 5.1 mt -59.3 -47.68 89.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.435 ' HB2' HG22 ' A' ' 28' ' ' THR . 84.2 p -55.05 -42.08 72.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.045 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -61.99 -46.57 88.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.24 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.794 HG21 ' HG ' ' A' ' 10' ' ' LEU . 2.0 m -47.37 -33.05 5.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.404 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.56 HD23 HG22 ' A' ' 25' ' ' THR . 0.0 OUTLIER -115.75 24.03 11.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' LEU . 3.3 t30 36.91 34.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -89.01 162.29 38.35 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.428 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 139.72 24.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -48.04 -52.04 43.64 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.1 Cg_endo -74.98 53.23 3.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.04 -49.15 0.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.648 HD12 HG21 ' A' ' 7' ' ' VAL . 45.7 mm -72.3 -35.28 51.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -56.49 -41.11 76.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.229 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.04 -46.61 87.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -45.52 87.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.056 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 75' ' ' TRP . 24.8 mt -55.19 -40.35 70.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -46.75 87.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -60.0 -48.96 79.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.765 HD11 ' CD2' ' A' ' 4' ' ' LEU . 66.8 mt -60.61 -41.71 95.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.21 -50.34 73.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t -53.97 -49.99 67.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.1 . . . . 0.0 109.974 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.3 mtt -63.01 -45.39 92.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.73 46.62 0.83 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.14 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -102.94 -64.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.55 178.25 6.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.636 HG11 ' HD2' ' A' ' 78' ' ' ARG . 34.2 m -139.38 156.25 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.403 ' HG2' ' CZ3' ' A' ' 75' ' ' TRP . 0.4 OUTLIER -85.99 139.19 31.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 49' ' ' ILE . 34.1 mm -117.29 151.02 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -114.1 150.75 33.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -100.28 171.67 7.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.229 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -38.6 99.07 0.18 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.392 1.057 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' GLU . 18.3 Cg_endo -74.97 -162.44 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.558 1.82 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -142.15 155.45 45.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -149.4 -109.33 0.5 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.564 1.165 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 85.0 m 61.39 159.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.1 -62.75 1.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.362 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.9 t 70.87 -62.51 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.04 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 56.28 94.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.098 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' CYS . 1.2 m -148.25 100.46 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 60' ' ' SER . 16.0 p 41.17 43.84 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.33 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 76.44 139.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 m -102.16 118.83 37.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.22 116.08 0.28 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 108.344 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.468 1.773 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.08 75.88 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 45.6 95.6 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.548 1.155 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.1 146.85 45.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.362 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.46 122.53 14.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.9 p -49.35 159.09 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 108.313 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.44 162.49 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.54 90.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -64.2 138.12 58.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.567 ' CD1' ' HB3' ' A' ' 18' ' ' GLU . 14.6 m0 -102.71 170.95 7.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.008 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.526 ' CD1' HD13 ' A' ' 37' ' ' LEU . 94.3 m95 -123.42 147.09 47.47 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.482 ' HA ' HD22 ' A' ' 11' ' ' LEU . . . -156.02 177.24 11.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.498 HD21 ' CB ' ' A' ' 11' ' ' LEU . 10.5 mt -99.19 159.12 15.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.636 ' HD2' HG11 ' A' ' 47' ' ' VAL . 7.3 tpt180 . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.437 0.16 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.95 156.57 34.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 p 178.43 165.05 0.78 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.531 1.144 . . . . 0.0 109.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.646 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -57.34 -37.65 72.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.507 ' N ' HD13 ' A' ' 5' ' ' ILE . 4.5 mm -52.39 -42.27 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 109.351 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.476 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.2 mt-30 -58.23 -52.92 63.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.081 HG22 ' CG2' ' A' ' 22' ' ' ILE . 14.9 t -66.16 -46.97 86.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -47.24 79.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -61.99 -51.04 69.65 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.662 ' HG ' HG21 ' A' ' 25' ' ' THR . 3.3 mm? -59.18 -49.08 79.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.481 HD22 ' HA ' ' A' ' 76' ' ' ALA . 6.4 mt -50.85 -28.82 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.815 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.13 -58.64 2.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.1 mt -52.93 -60.17 3.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -76.55 -9.21 58.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.449 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 66.96 -146.22 47.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.653 ' CB ' ' HB2' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -70.58 120.67 16.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 0.742 . . . . 0.0 110.252 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 16' ' ' ARG . 26.2 mmt -155.45 175.49 13.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.521 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 5.0 tp10 -81.53 146.41 30.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.571 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -60.47 -42.71 96.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.383 1.052 . . . . 0.0 109.301 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.94 -37.99 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -74.91 -49.07 21.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.081 ' CG2' HG22 ' A' ' 7' ' ' VAL . 7.0 mt -55.79 -46.03 79.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 p -57.63 -48.31 79.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.77 -44.88 74.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.286 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.662 HG21 ' HG ' ' A' ' 10' ' ' LEU . 81.6 m -48.01 -33.29 7.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.405 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.451 ' C ' ' N ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -116.22 33.46 5.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' LEU . 44.3 t-20 39.16 30.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.713 HG23 ' HD2' ' A' ' 29' ' ' PRO . 5.8 m -87.2 146.45 40.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.713 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.0 135.1 18.63 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.389 1.731 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.476 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -38.78 -52.94 3.55 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.241 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.05 53.06 3.24 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.458 ' HB3' ' CG2' ' A' ' 28' ' ' THR . 0.3 OUTLIER -146.86 -44.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 111.017 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.492 HD12 HG21 ' A' ' 7' ' ' VAL . 32.3 mm -75.42 -35.59 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -53.54 -39.55 64.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.93 -46.27 82.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -48.31 73.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.072 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 21.5 mt -56.61 -38.03 71.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -33.8 76.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -45.17 40.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.646 HD11 ' CD2' ' A' ' 4' ' ' LEU . 49.8 mt -61.18 -38.94 88.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.79 -51.31 70.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.26 -46.95 72.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mtt -63.1 -51.14 67.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.41 47.32 1.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -102.05 -56.54 2.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -93.75 170.84 9.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.3 m -124.73 155.83 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -91.15 136.99 32.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 74' ' ' TRP . 42.6 mm -118.91 152.21 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -120.76 149.81 41.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.24 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 52' ' ' GLU . 1.6 mt-10 -102.12 171.92 7.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 51' ' ' GLU . 5.2 mt-10 -38.51 101.18 0.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -162.45 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.521 1.8 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.01 161.02 20.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.73 119.46 0.53 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.73 165.48 16.03 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.54 121.44 41.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 t 62.34 121.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.515 1.134 . . . . 0.0 109.913 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.66 139.74 3.7 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.7 t -119.14 128.83 54.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 0.738 . . . . 0.0 109.966 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.3 t -72.69 -67.7 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.7 -62.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.82 -58.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 32.0 p -131.97 156.68 79.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 108.326 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 110.987 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 pm0 -119.5 -149.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -101.6 -106.19 2.92 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt 63.96 149.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 0.723 . . . . 0.0 109.281 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -41.23 140.21 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.2 p -90.21 159.04 16.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 108.248 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.63 161.56 3.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 87.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.07 136.65 56.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.521 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 18.6 m0 -100.58 169.82 8.79 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.447 ' CD1' HD13 ' A' ' 37' ' ' LEU . 93.2 m95 -133.74 148.02 51.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 107.995 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.653 ' HB2' ' CB ' ' A' ' 16' ' ' ARG . . . -155.54 172.57 18.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.815 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 9.5 mt -86.73 156.05 20.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.427 0.156 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.28 131.72 1.55 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.442 1.089 . . . . 0.0 109.4 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 p -176.34 162.73 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.958 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -56.78 -42.17 78.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 109.224 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.7 mm -56.85 -41.42 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.568 ' NE2' HD22 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -58.29 -53.23 60.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.119 HG13 HG21 ' A' ' 22' ' ' ILE . 24.4 t -66.9 -47.15 83.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.686 ' O ' HD11 ' A' ' 77' ' ' LEU . 9.5 mtm180 -55.5 -49.51 72.37 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -56.42 -51.28 68.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.341 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.908 ' HG ' HG21 ' A' ' 25' ' ' THR . 2.5 mm? -61.23 -51.09 70.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.596 HD22 ' HA ' ' A' ' 76' ' ' ALA . 5.5 mt -51.62 -29.74 18.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.064 . . . . 0.0 109.232 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.748 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -86.43 -57.73 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.4 mt -53.36 -60.37 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.542 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -76.72 -8.54 57.48 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 65.36 -154.85 50.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.433 1.083 . . . . 0.0 110.997 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.685 ' HB3' ' HB2' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -63.0 117.56 6.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 110.325 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 30.6 mmm -150.94 175.41 12.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 111.003 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 19' ' ' ALA . 13.8 tp10 -72.2 140.17 48.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.95 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -56.38 -49.36 74.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.97 -39.92 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -43.08 87.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.119 HG21 HG13 ' A' ' 7' ' ' VAL . 7.0 mt -61.45 -51.76 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 p -55.75 -45.46 78.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -44.85 72.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.908 HG21 ' HG ' ' A' ' 10' ' ' LEU . 68.3 m -44.25 -37.17 3.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.382 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.568 HD22 ' NE2' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -115.1 36.38 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.1 t30 39.29 31.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.746 HG23 ' HD2' ' A' ' 29' ' ' PRO . 3.4 m -84.45 146.81 48.21 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.179 . . . . 0.0 110.326 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.746 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.6 Cg_endo -74.9 134.09 17.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.476 1.777 . . . . 0.0 111.032 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.474 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -38.13 -52.84 3.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.0 53.21 3.27 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.446 1.761 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.466 ' HB3' ' CG2' ' A' ' 28' ' ' THR . 4.6 tpt -146.6 -44.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.562 HG22 ' CD1' ' A' ' 37' ' ' LEU . 25.0 mm -75.72 -34.54 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -53.12 -34.86 58.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.143 . . . . 0.0 109.25 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.33 -47.26 74.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.273 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.434 ' SD ' HD22 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -62.43 -50.74 70.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 110.98 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.562 ' CD1' HG22 ' A' ' 33' ' ' ILE . 8.4 mt -53.94 -41.77 68.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -34.21 68.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -69.91 -46.44 65.38 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 110.344 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.426 HD11 ' CD1' ' A' ' 4' ' ' LEU . 19.5 mt -59.43 -43.39 93.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -50.14 68.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -53.92 -45.55 71.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.58 -46.46 66.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.43 45.93 1.38 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -102.32 -53.49 2.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.384 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -96.42 170.46 9.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.4 m -133.79 157.68 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.408 ' HD3' ' CH2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -91.32 138.46 31.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.605 HD11 ' HB3' ' A' ' 76' ' ' ALA . 4.3 mp -120.75 147.29 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -109.6 152.24 25.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.54 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 0.5 OUTLIER -113.49 168.86 9.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.04 115.7 0.95 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.519 1.799 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.63 166.3 11.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -111.15 80.78 0.28 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 28.4 p -127.33 -175.14 3.36 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.8 ' C ' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -162.07 149.71 14.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.087 . . . . 0.0 109.376 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.22 -56.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 58.13 115.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.101 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.66 171.46 5.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 110.008 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.28 163.44 34.46 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.515 1.134 . . . . 0.0 108.265 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 70.14 -70.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 76.1 p -45.47 128.2 7.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -171.1 100.0 0.41 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 108.26 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.81 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -121.59 105.88 10.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.95 69.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.088 . . . . 0.0 110.958 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -87.98 176.39 7.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -172.68 103.6 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 11.6 m -93.89 162.29 13.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 108.274 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.56 161.54 2.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.48 86.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.24 131.89 49.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.54 ' CZ2' ' CD ' ' A' ' 51' ' ' GLU . 44.5 m0 -89.41 165.15 14.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 107.984 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.414 ' CD1' HD13 ' A' ' 37' ' ' LEU . 96.3 m95 -121.55 150.87 41.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 107.988 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.685 ' HB2' ' HB3' ' A' ' 16' ' ' ARG . . . -153.92 174.57 14.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.748 HD12 ' HB2' ' A' ' 12' ' ' ALA . 21.9 mt -98.79 155.4 17.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.528 0.204 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 3' ' ' SER . . . -56.13 -169.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.654 ' HB2' HD12 ' A' ' 5' ' ' ILE . 3.6 p 161.76 165.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.994 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.707 ' CD1' HD11 ' A' ' 40' ' ' LEU . 2.1 mm? -66.96 -41.58 86.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.654 HD12 ' HB2' ' A' ' 3' ' ' SER . 2.1 mp -49.31 -39.41 13.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.537 1.148 . . . . 0.0 109.241 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.498 ' OE1' HD22 ' A' ' 26' ' ' LEU . 2.7 mt-30 -58.58 -46.49 86.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.267 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.975 HG13 HG21 ' A' ' 22' ' ' ILE . 49.8 t -73.38 -47.86 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.728 ' O ' HD11 ' A' ' 77' ' ' LEU . 19.8 mtp180 -53.65 -41.29 66.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.16 -50.6 46.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.895 ' HG ' HG21 ' A' ' 25' ' ' THR . 1.5 mm? -58.06 -50.99 71.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.473 HD21 HD11 ' A' ' 22' ' ' ILE . 9.1 mt -55.35 -25.72 36.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.658 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.4 -59.04 2.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -57.15 -59.82 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.576 ' HD3' HD13 ' A' ' 10' ' ' LEU . 4.8 mpt_? -73.55 -11.15 60.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 68.27 -146.46 45.98 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -67.91 120.6 14.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 0.735 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.2 mmt -154.29 175.29 13.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.28 163.04 15.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.32 84.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.87 -38.64 7.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -51.96 10.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.975 HG21 HG13 ' A' ' 7' ' ' VAL . 32.2 mt -53.08 -47.15 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.413 ' HB2' HG22 ' A' ' 28' ' ' THR . 83.2 p -55.31 -46.2 76.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 110.052 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -57.4 -45.63 84.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.895 HG21 ' HG ' ' A' ' 10' ' ' LEU . 58.3 m -45.76 -40.02 8.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.562 HD23 ' HB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -110.92 24.84 12.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.237 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER 37.69 33.2 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -86.68 162.51 44.62 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 110.441 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.76 19.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -44.78 -51.66 21.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.6 Cg_endo -74.88 53.2 3.21 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.525 1.802 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.5 tpp -143.8 -49.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 110.999 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.657 HG22 ' CD1' ' A' ' 37' ' ' LEU . 22.4 mm -71.39 -32.68 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -57.28 -37.98 73.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.15 -46.18 71.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -50.65 69.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.068 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.657 ' CD1' HG22 ' A' ' 33' ' ' ILE . 19.6 mt -53.89 -40.57 66.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -42.92 92.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.246 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -58.51 -52.55 65.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.707 HD11 ' CD1' ' A' ' 4' ' ' LEU . 26.8 mt -52.51 -44.84 65.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.16 -53.61 51.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -53.91 -45.73 71.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.054 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mtt -66.73 -47.76 71.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.85 43.77 1.5 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.131 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -101.08 -54.62 2.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.23 173.67 7.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.6 m -133.47 157.53 42.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.07 139.19 31.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' TRP . 29.6 mm -117.01 150.41 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.39 161.47 15.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.33 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.15 172.04 7.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -44.74 103.25 0.33 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.57 1.826 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.6 t70 60.34 153.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 173.82 109.45 0.23 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.7 164.17 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -75.48 160.79 29.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.565 1.166 . . . . 0.0 109.356 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.4 t -71.99 -57.49 4.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 54.94 76.12 0.21 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.1 t -91.92 150.44 21.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.422 0.719 . . . . 0.0 110.023 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.1 71.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 108.224 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.49 167.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.5 p -56.66 154.69 8.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.475 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . 0.1 OUTLIER 171.45 -56.31 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.28 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.475 ' HD3' ' CB ' ' A' ' 64' ' ' CYS . 18.4 Cg_endo -74.98 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.04 -156.38 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.69 96.53 0.44 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 176.81 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.779 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.3 -179.17 7.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.2 p -88.94 159.97 17.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.322 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 71' ' ' LEU . 4.6 mm? -54.79 160.88 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.93 90.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.445 1.091 . . . . 0.0 110.271 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -60.06 139.73 57.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ILE . 15.0 m0 -104.02 171.71 7.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -123.81 148.74 46.44 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.439 ' HA ' HD22 ' A' ' 11' ' ' LEU . . . -155.78 176.54 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.728 HD11 ' O ' ' A' ' 8' ' ' ARG . 20.0 mt -94.23 163.32 13.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 tpt85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.228 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.51 0.195 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.56 176.26 6.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.617 ' HB2' HD12 ' A' ' 5' ' ' ILE . 10.4 p -123.65 157.64 33.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.947 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.445 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -73.93 -37.66 64.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.617 HD12 ' HB2' ' A' ' 3' ' ' SER . 2.1 mp -52.45 -36.01 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.775 ' O ' HD23 ' A' ' 10' ' ' LEU . 8.0 mt-30 -58.63 -53.1 62.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.843 HG22 ' CG2' ' A' ' 22' ' ' ILE . 53.0 t -66.79 -48.19 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.421 ' O ' HD11 ' A' ' 77' ' ' LEU . 96.2 mtt180 -53.41 -46.75 69.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.71 -50.95 70.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.897 ' HG ' HG21 ' A' ' 25' ' ' THR . 4.2 mm? -58.79 -48.73 80.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 11' ' ' LEU . 9.2 mt -55.41 -27.62 48.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.497 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.51 -59.11 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.419 ' HA ' HD13 ' A' ' 13' ' ' LEU . 4.0 mm? -54.34 -58.29 7.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.224 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -82.86 7.69 14.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 110.352 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 51.07 -140.55 22.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.56 ' HB3' ' HB2' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -72.58 121.56 19.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 110.273 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.4 mmm -148.92 175.46 11.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.607 ' OE1' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -81.95 159.28 23.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.886 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -67.9 -40.24 83.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.607 ' HB3' ' OE1' ' A' ' 18' ' ' GLU . . . -50.46 -39.65 48.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -41.68 77.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.112 . . . . 0.0 110.347 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.886 HD12 ' HA ' ' A' ' 19' ' ' ALA . 19.2 mt -60.07 -47.67 90.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 28' ' ' THR . 43.3 p -60.01 -39.84 87.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.957 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -44.59 95.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.897 HG21 ' HG ' ' A' ' 10' ' ' LEU . 4.4 m -47.88 -46.24 31.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 110.408 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.492 HD23 ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -108.56 22.57 15.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER 37.91 32.43 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.463 HG21 HD11 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -80.01 163.06 59.74 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 134.98 18.49 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.441 1.759 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -44.01 -52.0 16.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.09 53.93 3.53 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.09 -47.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.463 HD11 HG21 ' A' ' 28' ' ' THR . 19.3 mm -74.3 -35.51 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -53.94 -36.86 63.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.84 -47.06 82.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -49.27 72.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.409 HD22 ' CG ' ' A' ' 75' ' ' TRP . 21.7 mt -54.13 -38.26 65.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -47.57 79.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.86 -49.23 77.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.445 HD11 ' CD2' ' A' ' 4' ' ' LEU . 56.6 mt -56.96 -46.91 81.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.73 -51.7 68.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -54.01 -48.87 70.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 0.0 109.941 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 mtp -66.33 -42.36 88.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.26 45.12 1.38 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.483 1.114 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -99.86 -63.06 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 0.81 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -91.11 175.32 6.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.165 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.35 155.71 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.564 ' HD2' ' CH2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -85.83 139.13 31.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.461 HG21 ' HD3' ' A' ' 16' ' ' ARG . 21.5 mm -117.65 152.01 19.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -117.97 152.5 35.35 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -103.62 168.3 9.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.37 124.7 79.36 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.157 . . . . 0.0 110.347 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.5 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.431 1.753 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.45 163.05 27.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.4 72.6 0.09 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 32.0 p -140.64 158.08 44.51 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.39 114.41 21.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.4 m -113.47 144.7 42.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.65 88.23 0.07 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.5 p -154.2 163.8 39.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 109.913 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.0 t -106.86 97.89 7.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 108.302 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.51 111.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 0.0 109.391 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 m 177.76 -56.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -44.47 143.75 1.95 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 108.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.509 1.794 . . . . 0.0 111.04 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 67' ' ' GLY . 4.9 pm0 -123.56 -149.61 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.358 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.401 ' N ' ' CG ' ' A' ' 66' ' ' GLU . . . 110.2 123.35 4.56 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.383 1.052 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 112.97 24.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -174.98 138.08 0.44 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.1 p -81.81 157.18 24.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 108.263 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.16 160.89 0.69 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 91.65 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.07 143.91 54.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' ILE . 15.9 m0 -105.1 171.37 7.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.564 ' CH2' ' HD2' ' A' ' 48' ' ' ARG . 95.6 m95 -124.59 147.78 48.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 108.002 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.56 ' HB2' ' HB3' ' A' ' 16' ' ' ARG . . . -156.03 169.33 24.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.497 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 22.0 mt -86.06 156.39 20.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mtt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.463 0.173 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.95 142.75 2.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 p -179.85 168.28 1.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.064 . . . . 0.0 110.049 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.501 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -63.05 -36.72 84.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.435 ' N ' HD13 ' A' ' 5' ' ' ILE . 5.2 mm -65.41 -34.06 67.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.13 -53.76 50.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.98 HG23 HG21 ' A' ' 22' ' ' ILE . 5.1 p -64.86 -37.39 80.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.528 ' O ' HD11 ' A' ' 77' ' ' LEU . 3.5 mtt180 -67.16 -52.95 35.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -55.89 -49.24 73.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.23 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.808 ' HG ' HG21 ' A' ' 25' ' ' THR . 1.6 mm? -60.91 -48.08 83.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' A' ' 76' ' ' ALA . 10.0 mt -54.24 -29.51 46.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.827 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.82 -55.84 3.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.3 mt -55.58 -60.58 3.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.543 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -78.02 -7.44 56.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 70.29 -155.13 52.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.463 1.102 . . . . 0.0 111.058 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 138.56 57.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 0.792 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 45.0 tpp -177.17 158.35 1.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.552 ' HB3' ' CD1' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -69.45 153.58 43.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.252 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.741 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -65.64 -38.79 90.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.405 ' HB3' ' HG3' ' A' ' 18' ' ' GLU . . . -45.7 -37.69 6.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -50.82 12.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.379 1.049 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.98 HG21 HG23 ' A' ' 7' ' ' VAL . 5.7 mt -55.72 -38.0 49.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.507 ' HB2' HG22 ' A' ' 28' ' ' THR . 81.2 p -62.23 -49.63 74.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.95 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -44.57 80.12 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.808 HG21 ' HG ' ' A' ' 10' ' ' LEU . 5.8 m -44.83 -45.85 10.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.486 HD11 HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -104.4 30.99 4.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 109.263 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' LEU . 19.2 t30 39.11 30.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.552 HG21 HG12 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -86.74 151.27 52.34 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.428 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.485 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.1 Cg_endo -74.95 133.15 16.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.483 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -38.43 -52.57 3.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -74.99 54.14 3.55 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.524 1.802 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.477 ' HB3' HG23 ' A' ' 28' ' ' THR . 0.0 OUTLIER -145.31 -46.32 0.22 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.173 . . . . 0.0 110.968 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.552 HG12 HG21 ' A' ' 28' ' ' THR . 22.2 mm -76.49 -38.48 31.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.357 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -52.19 -38.01 56.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.8 91.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.363 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -48.96 68.76 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 26.2 mt -56.22 -36.43 68.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -37.12 84.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.24 -45.66 62.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.501 HD11 ' CD2' ' A' ' 4' ' ' LEU . 20.6 mt -60.59 -41.75 95.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.59 -50.75 71.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -54.04 -52.51 60.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.1 mtt -59.93 -45.89 91.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.47 45.58 2.12 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -98.7 -49.37 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -91.83 175.92 6.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.8 m -131.83 153.7 39.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -86.36 139.14 31.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.8 mm -117.64 151.91 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -110.65 152.15 26.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.94 169.72 10.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.356 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.5 129.25 4.88 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.258 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -162.44 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -121.59 164.91 16.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.77 -78.74 1.39 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 85.7 m 63.23 124.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.38 172.65 12.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.382 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.65 163.76 1.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.043 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -148.79 90.39 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 53.35 81.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.751 . . . . 0.0 110.017 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.27 153.39 4.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 108.299 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.27 107.73 8.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.1 t -159.29 144.57 15.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.381 1.051 . . . . 0.0 110.031 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 2.7 m -136.28 68.7 62.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 108.275 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.037 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 42.77 92.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -103.21 78.96 0.31 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -104.2 177.61 4.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -46.75 165.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.3 m -88.42 152.53 21.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 108.275 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.99 161.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.85 89.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.15 142.22 57.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.368 1.042 . . . . 0.0 110.219 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.552 ' CD1' ' HB3' ' A' ' 18' ' ' GLU . 15.9 m0 -102.87 170.98 7.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 107.982 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -124.64 148.66 47.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 108.007 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.629 ' O ' ' HB1' ' A' ' 46' ' ' ALA . . . -156.16 178.58 10.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.827 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 9.5 mt -98.06 155.64 17.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.487 0.184 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.695 ' HB1' HD13 ' A' ' 26' ' ' LEU . . . -170.13 -172.28 1.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.563 ' HB2' HD12 ' A' ' 5' ' ' ILE . 28.6 p -160.68 166.55 28.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.085 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.813 HD21 HD21 ' A' ' 40' ' ' LEU . 5.2 tp -60.11 -41.77 93.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.371 1.044 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.563 HD12 ' HB2' ' A' ' 3' ' ' SER . 2.5 mp -47.49 -41.92 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.57 -46.73 86.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.848 HG22 ' CG2' ' A' ' 22' ' ' ILE . 99.5 t -72.58 -48.2 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.448 HH21 ' CD2' ' A' ' 40' ' ' LEU . 93.2 mtt180 -50.82 -36.01 35.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.08 -49.26 20.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.503 ' HG ' HG21 ' A' ' 25' ' ' THR . 1.5 mm? -59.37 -51.3 70.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.041 HD21 HD11 ' A' ' 22' ' ' ILE . 12.2 mt -54.22 -25.04 20.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.51 ' N ' HD11 ' A' ' 77' ' ' LEU . . . -86.85 -59.48 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.47 -60.12 4.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' LEU . 6.0 mpt_? -71.41 -14.65 62.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.58 -154.84 53.37 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.54 ' CB ' ' HB2' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -64.12 120.72 12.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 0.737 . . . . 0.0 110.266 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.7 mmt -155.98 175.47 13.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.81 151.82 39.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.67 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -67.94 -40.01 83.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.74 -38.63 4.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.588 1.18 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -68.41 -47.53 67.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.215 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.041 HD11 HD21 ' A' ' 11' ' ' LEU . 22.4 mt -58.06 -44.67 87.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 28' ' ' THR . 51.3 p -57.39 -43.47 83.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 109.976 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -60.88 -44.88 96.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.567 ' HB ' HD23 ' A' ' 26' ' ' LEU . 95.5 m -44.78 -47.6 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.695 HD13 ' HB1' ' A' ' 2' ' ' ALA . 0.1 OUTLIER -105.02 24.96 11.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER 37.94 31.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -84.38 162.49 51.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.35 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.46 21.75 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.498 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -46.08 -51.63 31.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -74.98 53.01 3.2 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.16 -44.45 0.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.964 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.51 HD12 HG21 ' A' ' 7' ' ' VAL . 24.2 mm -77.38 -36.9 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -55.03 -42.18 72.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.361 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.15 -46.87 84.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -47.18 77.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.424 1.078 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.424 ' CD1' HG22 ' A' ' 33' ' ' ILE . 21.5 mt -56.58 -37.66 70.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -42.9 98.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -51.03 65.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.813 HD21 HD21 ' A' ' 4' ' ' LEU . 36.6 mt -56.83 -45.04 82.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.91 -50.68 70.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.1 t -54.04 -48.56 70.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.7 mtt -61.2 -54.87 38.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.06 38.04 0.62 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -106.22 -36.64 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.479 ' C ' HG13 ' A' ' 47' ' ' VAL . . . -100.46 -179.46 4.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.236 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.479 HG13 ' C ' ' A' ' 46' ' ' ALA . 22.0 m -155.19 146.03 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -89.29 138.81 31.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.77 HD11 ' HB3' ' A' ' 76' ' ' ALA . 4.1 mp -120.17 152.17 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.607 1.192 . . . . 0.0 109.368 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -110.89 150.65 28.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.508 ' HG3' ' CE2' ' A' ' 74' ' ' TRP . 0.1 OUTLIER -112.11 170.12 8.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.08 120.89 3.73 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.546 1.814 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.62 163.16 7.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.592 1.183 . . . . 0.0 109.274 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.77 -160.02 0.92 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.1 m -98.18 120.38 38.49 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -108.88 172.61 6.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.251 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.02 163.9 26.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.996 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.16 -155.14 30.73 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.603 1.189 . . . . 0.0 111.019 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 62' ' ' LYS . 0.3 OUTLIER 68.44 162.97 0.21 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.458 0.74 . . . . 0.0 110.011 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 78.7 m 67.63 -77.29 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.485 1.115 . . . . 0.0 108.317 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 60' ' ' SER . 9.6 ttpt 81.04 169.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.223 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.5 t 66.73 123.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.73 157.18 34.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 108.36 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.27 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.89 117.55 8.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 110.368 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.95 -67.31 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -58.98 172.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.241 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -98.29 167.88 10.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 95.2 m -65.18 151.92 44.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 108.298 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -50.63 162.91 0.21 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.88 88.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.8 138.83 58.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.508 ' CE2' ' HG3' ' A' ' 51' ' ' GLU . 27.5 m0 -93.89 168.86 10.7 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -122.97 145.03 48.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 107.982 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.77 ' HB3' HD11 ' A' ' 49' ' ' ILE . . . -156.29 178.95 9.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.51 HD11 ' N ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -89.89 152.04 21.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.453 ' HA ' HG11 ' A' ' 47' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.527 0.203 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.84 169.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 p -178.3 162.21 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.006 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.472 ' CD1' HD11 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -67.18 -38.52 85.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.5 mm -63.56 -33.91 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -62.45 -53.41 55.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.02 HG23 HG21 ' A' ' 22' ' ' ILE . 5.6 p -67.78 -36.41 75.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.061 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.538 ' O ' HD11 ' A' ' 77' ' ' LEU . 9.6 mtp180 -67.1 -50.39 61.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -55.95 -49.32 73.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.772 ' HG ' HG21 ' A' ' 25' ' ' THR . 4.0 mm? -62.08 -47.78 83.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.753 HD11 HD21 ' A' ' 37' ' ' LEU . 12.0 mt -58.59 -25.78 62.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.796 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.73 -59.17 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.48 -59.41 5.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.401 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 10.1 mmm-85 -78.99 1.22 24.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.212 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 58.97 -142.59 46.27 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.469 1.106 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.538 ' HB3' ' HB2' ' A' ' 76' ' ' ALA . 3.5 ptt180 -66.65 131.23 45.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.583 0.813 . . . . 0.0 110.23 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.89 152.61 5.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 6.1 tp10 -68.07 160.01 29.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.811 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -68.41 -39.08 81.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.83 -38.13 3.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -77.17 -47.23 20.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.02 HG21 HG23 ' A' ' 7' ' ' VAL . 8.6 mt -58.05 -44.99 88.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.37 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.421 ' HA ' HG22 ' A' ' 28' ' ' THR . 97.5 p -56.48 -46.47 80.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 109.974 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -58.1 -45.55 87.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.772 HG21 ' HG ' ' A' ' 10' ' ' LEU . 87.6 m -45.97 -47.43 16.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.446 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.565 HD11 HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -103.49 24.43 11.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LEU . 51.0 t-20 37.92 33.65 0.05 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.421 HG22 ' HA ' ' A' ' 23' ' ' SER . 0.5 OUTLIER -87.35 162.68 42.18 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 110.441 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD2' ' OG1' ' A' ' 28' ' ' THR . 18.6 Cg_endo -74.97 135.88 19.72 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.506 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -46.28 -50.83 37.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.361 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -75.06 53.36 3.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.1 ttp -145.86 -44.74 0.21 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.565 HD11 HD11 ' A' ' 26' ' ' LEU . 25.2 mm -77.41 -35.94 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -55.72 -40.94 73.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.38 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.39 -46.2 87.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.455 ' CE ' HD22 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -62.82 -51.53 66.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.753 HD21 HD11 ' A' ' 11' ' ' LEU . 20.1 mt -53.84 -39.38 65.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -30.97 70.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -53.18 18.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 4' ' ' LEU . 15.7 mt -54.54 -42.39 70.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.97 -51.27 70.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -53.9 -47.32 71.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.2 mtt -67.54 -43.35 80.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.53 45.44 1.32 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.561 1.163 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -100.53 -55.62 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.741 . . . . 0.0 109.235 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.92 175.91 6.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.0 m -132.01 158.13 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.354 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.688 HH21 ' CD ' ' A' ' 73' ' ' GLU . 2.3 ttt180 -91.93 135.83 33.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.733 HD11 ' HB3' ' A' ' 76' ' ' ALA . 3.9 mp -118.82 151.89 21.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -110.66 152.38 26.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.597 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 0.3 OUTLIER -115.01 171.89 7.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 51' ' ' GLU . 1.4 mt-10 -38.28 98.85 0.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.524 1.802 . . . . 0.0 111.03 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.3 t70 64.92 163.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.99 -61.3 0.01 OUTLIER Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.448 1.093 . . . . 0.0 110.988 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.5 p -75.11 162.37 28.58 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.38 -63.64 1.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.3 p -170.39 170.19 7.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.954 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -137.01 101.91 0.37 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.48 1.113 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.5 m -120.18 170.29 9.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 0.772 . . . . 0.0 109.985 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 67.93 164.55 0.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 108.319 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.84 157.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.76 121.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.024 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -114.3 156.82 43.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 108.309 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.477 1.777 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -135.07 -166.25 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -176.68 144.02 6.67 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.421 1.075 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -165.57 163.11 19.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.597 0.822 . . . . 0.0 109.337 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 63.21 123.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.6 m -87.34 150.27 23.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 108.238 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 71' ' ' LEU . 4.6 mm? -51.5 161.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.59 90.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.688 ' CD ' HH21 ' A' ' 48' ' ' ARG . 4.2 mp0 -59.95 137.74 58.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.597 ' CZ2' ' CD ' ' A' ' 51' ' ' GLU . 31.0 m0 -91.77 169.53 10.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 108.033 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.4 ' CZ2' ' HD2' ' A' ' 48' ' ' ARG . 97.2 m95 -125.6 148.62 48.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 108.01 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.733 ' HB3' HD11 ' A' ' 49' ' ' ILE . . . -155.05 160.25 40.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.796 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 30.6 mt -76.06 158.55 31.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.09 . . . . 0.0 109.239 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.47 0.176 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.41 ' HB1' HD13 ' A' ' 26' ' ' LEU . . . -88.97 -168.8 2.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 p -158.97 164.7 35.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.996 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 36' ' ' MET . 1.5 mt -55.7 -35.99 66.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.509 ' N ' HD13 ' A' ' 5' ' ' ILE . 4.3 mm -56.21 -41.98 71.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.72 ' OE1' HD22 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -58.09 -45.05 87.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.914 HG22 ' CG2' ' A' ' 22' ' ' ILE . 60.1 t -74.26 -45.82 46.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.581 1.176 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.5 ' HA ' HD21 ' A' ' 77' ' ' LEU . 3.2 mtt180 -59.51 -40.17 86.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -66.89 -46.56 74.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.96 ' HG ' HG21 ' A' ' 25' ' ' THR . 2.2 mm? -65.82 -51.37 59.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.751 HD21 HD11 ' A' ' 22' ' ' ILE . 9.3 mt -54.13 -28.38 39.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.442 ' HB2' HD13 ' A' ' 77' ' ' LEU . . . -86.77 -58.83 2.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 13' ' ' LEU . 41.8 mt -55.01 -61.06 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.542 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -76.33 -7.33 54.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 69.8 -154.52 52.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.417 ' CB ' ' HB2' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -59.97 139.92 57.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -177.21 151.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.872 ' OE1' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -61.43 158.87 13.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.35 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.811 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -67.73 -40.69 84.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.872 ' HB3' ' OE1' ' A' ' 18' ' ' GLU . . . -43.67 -38.06 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.08 -52.1 15.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.226 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.914 ' CG2' HG22 ' A' ' 7' ' ' VAL . 6.2 mt -52.91 -46.61 52.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.45 ' HB2' HG22 ' A' ' 28' ' ' THR . 26.7 p -54.65 -46.62 74.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.046 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.79 -46.35 84.75 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.96 HG21 ' HG ' ' A' ' 10' ' ' LEU . 95.2 m -47.67 -34.79 8.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.72 HD22 ' OE1' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -116.09 24.24 11.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.414 1.071 . . . . 0.0 109.355 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LEU . 4.4 t-20 38.18 31.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.483 HG21 HD11 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -86.65 159.86 51.61 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.98 135.37 19.02 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.533 1.807 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -44.33 -51.54 19.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.4 Cg_endo -74.98 53.29 3.28 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.543 1.812 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -145.26 -49.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.483 HD11 HG21 ' A' ' 28' ' ' THR . 48.9 mm -72.88 -38.4 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -51.85 -37.67 52.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.12 -42.0 72.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.365 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.548 ' HB3' HD21 ' A' ' 4' ' ' LEU . 8.0 mtt -73.6 -42.61 61.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.554 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 21.7 mt -60.57 -32.64 71.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -40.67 74.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.264 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -64.88 -48.43 74.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.1 mt -57.6 -41.1 80.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.09 -55.24 30.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.2 t -54.15 -48.44 70.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 mtm -66.34 -47.98 71.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.04 43.88 1.58 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -101.16 -42.81 6.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.15 178.5 5.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.1 m -136.63 155.71 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.7 139.12 30.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.387 1.054 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 74' ' ' TRP . 6.2 mm -116.16 151.89 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -112.83 151.83 29.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.609 1.193 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.54 171.48 8.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -39.62 146.04 0.4 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -137.35 165.91 25.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -117.49 144.39 18.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.4 m -65.41 163.02 16.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -90.52 -62.95 1.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.62 87.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.86 -73.7 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.72 138.88 54.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 0.788 . . . . 0.0 109.93 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 60.7 m -91.71 -62.01 1.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 108.336 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.08 135.91 15.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.02 96.9 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.043 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.89 96.53 0.16 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 108.304 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.528 1.804 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -124.37 -149.32 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 164.29 84.14 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.112 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -64.16 109.97 2.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 0.72 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.45 129.37 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 84.5 m -88.61 150.26 23.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 108.289 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 71' ' ' LEU . 4.6 mm? -55.25 160.87 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.08 90.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.18 136.98 58.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' ILE . 17.7 m0 -102.48 169.01 8.94 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -121.24 149.05 43.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 107.995 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.417 ' HB2' ' CB ' ' A' ' 16' ' ' ARG . . . -155.45 178.18 10.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.5 HD21 ' HA ' ' A' ' 8' ' ' ARG . 1.5 mp -96.51 159.26 15.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.397 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.6 tpt85 . . . . . 0 C--N 1.323 -0.552 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.53 0.205 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.433 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . . . -84.74 162.08 19.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 p -111.9 155.26 23.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.946 ' CD1' HD11 ' A' ' 40' ' ' LEU . 1.7 mm? -61.46 -38.15 86.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.4 mm -62.06 -37.18 77.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.487 ' HB3' HD22 ' A' ' 26' ' ' LEU . 2.1 mt-30 -58.92 -53.98 52.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.713 HG23 HG21 ' A' ' 22' ' ' ILE . 6.3 p -65.96 -36.77 78.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.529 ' O ' HD11 ' A' ' 77' ' ' LEU . 8.8 mtm180 -67.9 -36.09 79.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 110.355 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -75.08 -47.47 28.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.668 HD11 HG21 ' A' ' 25' ' ' THR . 2.0 mm? -57.35 -47.84 80.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.499 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 9.9 mt -53.0 -33.0 49.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.686 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -84.28 -57.91 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.1 mt -51.5 -60.11 3.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.537 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 4.7 mpt_? -78.04 -8.45 58.21 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 68.64 -156.84 53.26 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' O ' ' SD ' ' A' ' 17' ' ' MET . 0.3 OUTLIER -63.0 118.43 7.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 0.74 . . . . 0.0 110.322 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.404 ' SD ' ' O ' ' A' ' 16' ' ' ARG . 25.0 mmt -155.55 175.26 14.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.524 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 0.3 OUTLIER -86.79 163.24 17.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 110.339 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.755 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -67.93 -37.71 81.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.66 -37.9 6.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.55 1.156 . . . . 0.0 109.361 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -46.47 40.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 19' ' ' ALA . 11.6 mt -59.71 -55.31 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.8 p -50.0 -35.87 26.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.057 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -49.03 67.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.668 HG21 HD11 ' A' ' 10' ' ' LEU . 98.5 m -62.57 -49.98 73.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.404 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.558 ' CD1' HD11 ' A' ' 33' ' ' ILE . 20.3 mt -67.12 -10.14 47.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.19 34.54 8.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.509 HG23 ' HB3' ' A' ' 32' ' ' MET . 0.4 OUTLIER -113.85 164.62 15.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.451 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.01 135.2 18.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.966 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.489 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -39.0 -52.47 3.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.4 Cg_endo -74.99 53.87 3.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.509 ' HB3' HG23 ' A' ' 28' ' ' THR . 1.6 tpt -144.25 -49.29 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.558 HD11 ' CD1' ' A' ' 26' ' ' LEU . 12.0 mm -73.65 -30.28 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -54.69 -32.32 59.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 109.256 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.17 -46.33 71.03 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.593 1.183 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -49.47 72.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.465 ' CD1' HG22 ' A' ' 33' ' ' ILE . 17.1 mt -53.66 -36.53 62.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -41.63 96.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -63.91 -53.08 56.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.946 HD11 ' CD1' ' A' ' 4' ' ' LEU . 50.4 mt -55.82 -42.16 75.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -58.03 -52.59 64.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -53.87 -46.54 71.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 mtt -62.77 -48.68 78.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.04 47.87 0.98 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -102.5 -59.83 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 0.795 . . . . 0.0 109.349 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.637 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -90.98 -179.6 5.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.58 HG11 ' HD2' ' A' ' 78' ' ' ARG . 33.6 m -135.25 157.42 40.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.497 ' CD ' ' CH2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -91.48 139.38 30.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.5 mm -117.08 151.63 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -113.5 151.49 31.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.246 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.25 167.92 10.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -42.33 108.14 0.59 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -156.37 150.39 25.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.18 131.98 2.95 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.79 158.05 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -53.57 167.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.1 p -157.75 168.67 26.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.033 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.23 122.11 3.94 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.576 1.173 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t 64.26 139.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.979 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.2 t -85.21 154.28 22.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 108.278 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.85 -63.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.226 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.8 m -68.38 164.65 20.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.999 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -110.83 149.98 41.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 108.295 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.778 . . . . 0.0 110.993 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -126.27 -150.88 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.44 -145.94 11.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -106.82 126.45 52.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 0.777 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -178.06 139.54 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 71.2 m -96.65 149.69 21.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.285 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -56.92 160.98 3.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.05 90.09 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -61.2 137.59 58.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.524 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 15.0 m0 -104.23 170.27 8.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 108.016 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.497 ' CH2' ' CD ' ' A' ' 48' ' ' ARG . 96.4 m95 -123.67 148.11 46.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 107.965 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.637 ' O ' ' HB1' ' A' ' 46' ' ' ALA . . . -156.13 178.85 9.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.686 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 11.4 mt -99.37 156.77 16.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.58 ' HD2' HG11 ' A' ' 47' ' ' VAL . 8.4 tpt180 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.597 1.186 . . . . 0.0 110.305 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.785 HD21 ' HB3' ' A' ' 36' ' ' MET . 2.7 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 mm -51.85 -28.78 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -63.57 -53.28 54.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.348 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.875 HG23 HG21 ' A' ' 22' ' ' ILE . 6.0 p -65.69 -37.02 78.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -68.57 -47.43 66.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -62.08 -51.33 68.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.471 ' HG ' HG21 ' A' ' 25' ' ' THR . 3.6 mm? -58.37 -42.01 86.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.569 HD22 ' HA ' ' A' ' 76' ' ' ALA . 11.0 mt -58.89 -30.32 67.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.739 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.98 -51.96 5.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.3 mt -58.66 -59.91 4.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' LEU . 9.5 mmm-85 -82.02 3.45 26.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.456 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 57.99 -142.19 44.44 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.21 127.34 32.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.245 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 43.1 tpp -166.97 152.24 7.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.655 ' HG3' ' HB3' ' A' ' 20' ' ' ALA . 1.2 pt-20 -65.34 160.96 20.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.429 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . . . -68.15 -39.17 82.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.655 ' HB3' ' HG3' ' A' ' 18' ' ' GLU . . . -43.64 -38.16 2.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -52.03 14.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.875 HG21 HG23 ' A' ' 7' ' ' VAL . 5.7 mt -56.39 -49.49 76.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 28' ' ' THR . 50.4 p -53.38 -41.54 66.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.053 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -45.09 94.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.471 HG21 ' HG ' ' A' ' 10' ' ' LEU . 54.9 m -48.27 -46.15 35.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.406 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.71 HD11 HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -100.37 21.68 12.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' LEU . 7.7 t-20 39.12 30.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -83.4 163.36 50.31 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.376 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.2 21.44 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.536 1.808 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.495 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -45.97 -51.92 28.93 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.342 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.01 53.42 3.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.559 1.82 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.59 -48.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.71 HD11 HD11 ' A' ' 26' ' ' LEU . 22.6 mm -74.91 -38.38 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -55.2 -42.72 73.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.7 -46.82 86.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.785 ' HB3' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -63.88 -46.51 84.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.543 HD13 ' CD1' ' A' ' 75' ' ' TRP . 20.8 mt -54.21 -39.72 66.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -45.24 94.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.337 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -60.85 -52.38 65.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.545 HD11 HD22 ' A' ' 4' ' ' LEU . 56.3 mt -56.62 -45.21 81.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.13 -50.03 72.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -54.01 -48.02 70.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mtt -62.54 -51.94 65.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.58 46.38 0.62 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -102.46 -59.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.658 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -94.03 173.95 7.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.7 m -131.96 156.14 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.02 137.71 32.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 74' ' ' TRP . 21.6 mm -116.47 149.91 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -115.54 149.95 37.35 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.463 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.74 131.06 47.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.57 ' CD1' ' HB3' ' A' ' 18' ' ' GLU . 30.9 m0 -99.83 171.3 7.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 107.991 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.543 ' CD1' HD13 ' A' ' 37' ' ' LEU . 96.9 m95 -126.52 149.93 49.08 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.658 ' O ' ' HB1' ' A' ' 46' ' ' ALA . . . -155.15 178.99 9.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.739 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 18.9 mt -93.65 162.23 14.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.5 ' N ' HD13 ' A' ' 5' ' ' ILE . 4.6 mm -47.64 -39.02 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.653 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.2 mt-30 -58.28 -51.31 70.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.231 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.067 HG13 HG21 ' A' ' 22' ' ' ILE . 60.7 t -68.15 -48.06 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.17 . . . . 0.0 109.363 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -54.4 -44.94 72.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -65.16 -51.15 62.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.968 ' HG ' HG21 ' A' ' 25' ' ' THR . 4.2 mm? -57.01 -43.36 81.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.672 HD22 ' HA ' ' A' ' 76' ' ' ALA . 7.7 mt -56.53 -31.99 64.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.59 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.28 -55.7 3.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.4 mt -53.75 -59.51 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' LEU . 11.0 mmm180 -82.35 3.56 27.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.363 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.444 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 55.15 -141.76 36.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.431 1.082 . . . . 0.0 110.982 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.521 ' HA ' ' HB2' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -69.52 120.47 15.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 0.77 . . . . 0.0 110.339 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 16' ' ' ARG . 82.6 mmm -152.53 175.51 12.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 6.6 tp10 -91.98 161.81 14.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.67 90.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.98 -40.3 4.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -51.93 15.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.067 HG21 HG13 ' A' ' 7' ' ' VAL . 19.9 mt -54.26 -43.35 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 28' ' ' THR . 13.7 p -59.84 -43.66 94.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.968 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -44.39 97.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.968 HG21 ' HG ' ' A' ' 10' ' ' LEU . 3.7 m -47.26 -45.44 23.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -107.57 23.18 14.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' LEU . 57.1 t30 37.85 32.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -80.02 162.98 60.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.365 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 134.4 17.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.453 1.765 . . . . 0.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.485 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -41.73 -52.26 8.74 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.01 52.25 3.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.3 tpt -142.65 -45.2 0.31 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 111.068 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.716 HD12 HG21 ' A' ' 7' ' ' VAL . 23.2 mm -76.84 -31.29 19.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -61.36 -43.87 98.13 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.7 -45.16 95.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -52.4 61.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.512 ' CD1' HG22 ' A' ' 33' ' ' ILE . 25.6 mt -53.85 -38.53 64.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.95 -35.93 73.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.45 -49.77 51.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.248 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.3 mt -59.37 -41.24 88.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HB2' ' CZ3' ' A' ' 75' ' ' TRP . 1.4 tt0 -63.06 -52.09 64.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.2 t -53.99 -51.16 64.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.1 mtp -62.5 -48.41 79.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.069 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.76 45.73 0.95 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -100.23 -53.59 3.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.652 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -96.14 170.96 8.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.06 152.21 36.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.485 ' C ' HD12 ' A' ' 49' ' ' ILE . 7.0 mtt180 -85.19 139.17 31.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.516 HD11 ' HB3' ' A' ' 76' ' ' ALA . 3.6 mp -119.77 146.17 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -103.68 150.41 24.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.491 ' HG3' ' CE2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 39.9 mt-10 -61.67 139.68 58.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.546 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 38.0 m0 -93.03 169.2 10.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 108.041 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.415 ' CZ3' ' HB2' ' A' ' 41' ' ' GLU . 95.6 m95 -123.56 148.7 46.09 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.672 ' HA ' HD22 ' A' ' 11' ' ' LEU . . . -156.03 179.25 9.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.59 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 5.8 mt -96.76 152.8 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.595 ' CD2' HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.4 mt -55.56 -43.63 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -57.79 -53.07 62.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.971 HG22 ' CG2' ' A' ' 22' ' ' ILE . 46.4 t -65.59 -47.81 84.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.671 HH21 HD22 ' A' ' 40' ' ' LEU . 52.5 mtt180 -53.39 -45.26 69.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.69 -51.11 64.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.524 ' HA ' HD13 ' A' ' 10' ' ' LEU . 1.2 mm? -57.6 -51.1 70.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.799 HD21 HD11 ' A' ' 22' ' ' ILE . 9.2 mt -54.75 -26.37 33.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.524 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.2 -59.14 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 13' ' ' LEU . 3.1 mm? -55.34 -59.7 4.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.495 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 5.0 mpt_? -74.51 -11.61 60.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.367 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.432 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 69.15 -146.1 43.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.444 1.09 . . . . 0.0 110.943 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.409 ' HD3' HG21 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -64.82 125.7 25.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.754 . . . . 0.0 110.288 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.3 mmt -158.19 175.19 14.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.407 ' OE1' ' HA ' ' A' ' 18' ' ' GLU . 6.5 tp10 -91.28 161.7 14.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.381 1.05 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -66.18 -41.15 90.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.89 -39.32 3.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -45.52 26.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.605 1.191 . . . . 0.0 110.278 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.971 ' CG2' HG22 ' A' ' 7' ' ' VAL . 38.1 mt -57.44 -50.12 78.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' THR . 68.1 p -58.63 -38.74 78.7 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.7 -44.81 93.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.592 HG22 HD23 ' A' ' 26' ' ' LEU . 1.1 m -50.73 -45.11 58.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.592 HD23 HG22 ' A' ' 25' ' ' THR . 0.1 OUTLIER -105.55 20.7 18.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 23' ' ' SER . 1.6 t-20 38.84 31.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.45 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -79.73 163.14 59.99 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.95 21.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.478 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -43.13 -53.28 10.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -75.03 53.18 3.27 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.779 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.55 -46.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.638 HD12 HG21 ' A' ' 7' ' ' VAL . 22.7 mm -75.8 -34.51 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -57.44 -42.06 81.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.52 -46.43 83.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -49.95 72.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.534 HD13 ' CD1' ' A' ' 75' ' ' TRP . 28.8 mt -55.1 -40.65 70.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -45.57 92.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.238 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -61.22 -50.25 73.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.671 HD22 HH21 ' A' ' 8' ' ' ARG . 59.6 mt -58.46 -38.93 78.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.36 -52.71 64.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.8 t -55.69 -46.04 77.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.952 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.5 mtt -66.95 -49.38 65.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.31 47.68 0.85 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -100.32 -59.8 1.64 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.535 0.785 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.11 179.35 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.3 m -135.72 157.72 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.94 138.99 30.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.476 ' HA ' HD13 ' A' ' 49' ' ' ILE . 17.3 mm -117.82 151.71 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -111.92 153.62 26.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.287 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.43 139.49 58.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.426 ' HB2' HG22 ' A' ' 49' ' ' ILE . 14.3 m0 -104.0 172.04 7.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.534 ' CD1' HD13 ' A' ' 37' ' ' LEU . 96.5 m95 -123.76 148.8 46.31 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.97 174.13 15.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.601 1.188 . . . . 0.0 109.342 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.524 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 14.8 mt -87.23 157.58 19.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.433 HD23 ' CG1' ' A' ' 7' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.8 mm -62.9 -26.99 42.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.834 ' NE2' HD22 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -69.18 -54.67 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.049 HG23 HG21 ' A' ' 22' ' ' ILE . 7.4 p -62.65 -34.94 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.437 ' O ' HD11 ' A' ' 77' ' ' LEU . 3.5 mtp180 -67.94 -41.63 82.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -73.63 -46.13 48.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.544 ' HG ' HG21 ' A' ' 25' ' ' THR . 2.6 mm? -57.44 -49.98 74.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.655 HD11 HD21 ' A' ' 37' ' ' LEU . 12.3 mt -55.95 -26.4 47.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.838 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -85.92 -59.19 2.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 13' ' ' LEU . 3.9 mm? -55.64 -59.81 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.516 ' HD3' HD13 ' A' ' 10' ' ' LEU . 5.4 mpt_? -73.93 -12.19 60.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 69.76 -146.77 44.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -65.81 120.45 13.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 12.4 mmt -153.82 175.23 13.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' OE1' ' CB ' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -92.1 163.86 13.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.57 -38.2 83.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.416 ' CB ' ' OE1' ' A' ' 18' ' ' GLU . . . -48.69 -38.05 20.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -52.17 13.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.049 HG21 HG23 ' A' ' 7' ' ' VAL . 19.9 mt -56.4 -51.44 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.44 ' HB2' HG22 ' A' ' 28' ' ' THR . 93.3 p -53.49 -41.22 66.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -44.64 96.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.069 . . . . 0.0 110.3 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.544 HG21 ' HG ' ' A' ' 10' ' ' LEU . 90.2 m -45.6 -39.58 7.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.834 HD22 ' NE2' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -112.34 25.07 11.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LEU . 1.2 t30 37.75 32.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.265 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -83.31 163.11 51.67 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.441 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.01 19.84 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.442 1.759 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -44.63 -51.89 19.74 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.4 Cg_endo -74.92 53.29 3.26 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.526 1.803 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.87 -46.18 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.406 HD11 HD11 ' A' ' 26' ' ' LEU . 23.1 mm -76.5 -38.27 31.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -53.64 -40.0 65.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.86 -46.52 87.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.39 -49.0 70.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.655 HD21 HD11 ' A' ' 11' ' ' LEU . 20.6 mt -55.86 -38.35 69.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -45.68 88.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -59.03 -49.15 78.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 110.293 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.9 mt -56.63 -43.63 80.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.68 -53.83 53.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 t -53.99 -48.47 70.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.938 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.7 mtt -65.34 -45.67 83.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.39 44.53 1.45 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -100.63 -54.92 2.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.777 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.18 172.77 8.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 109.23 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.1 m -126.61 154.14 36.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -87.57 139.04 30.94 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.592 HG13 ' HB2' ' A' ' 76' ' ' ALA . 23.2 mm -118.33 151.78 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -113.8 152.88 30.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.148 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -60.06 139.86 57.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 110.341 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -103.13 170.76 7.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 107.988 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.527 ' CD1' HD13 ' A' ' 37' ' ' LEU . 95.6 m95 -120.85 151.76 39.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 107.99 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.592 ' HB2' HG13 ' A' ' 49' ' ' ILE . . . -155.8 175.05 14.44 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.838 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 31.8 mt -92.55 157.97 16.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.675 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.82 -33.0 59.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.465 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.7 mt-30 -62.63 -53.4 55.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.04 HG23 HG21 ' A' ' 22' ' ' ILE . 5.2 p -67.38 -38.37 80.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.413 ' HE ' HD22 ' A' ' 4' ' ' LEU . 6.8 mtt180 -64.15 -38.25 90.37 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -75.31 -41.95 55.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.594 1.184 . . . . 0.0 109.247 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.633 HD11 HG21 ' A' ' 25' ' ' THR . 3.3 mm? -63.22 -51.48 66.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.599 1.187 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.76 HD11 HD21 ' A' ' 37' ' ' LEU . 9.1 mt -57.44 -24.45 55.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.471 ' N ' HD11 ' A' ' 77' ' ' LEU . . . -86.43 -59.24 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.244 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 13' ' ' LEU . 4.0 mm? -56.41 -59.92 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.54 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.5 OUTLIER -73.13 -11.45 60.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.88 -149.02 51.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 -61.12 126.01 25.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 0.786 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.444 ' CE ' ' HG3' ' A' ' 21' ' ' GLN . 9.8 tpt -173.76 151.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 0.7 OUTLIER -59.78 156.36 14.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.67 -38.4 83.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.29 -37.66 3.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' HG3' ' CE ' ' A' ' 17' ' ' MET . 0.1 OUTLIER -72.99 -52.52 14.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.04 HG21 HG23 ' A' ' 7' ' ' VAL . 4.4 mt -57.06 -47.36 83.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' THR . 95.9 p -56.18 -39.49 72.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.142 . . . . 0.0 109.977 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.14 -44.94 90.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.633 HG21 HD11 ' A' ' 10' ' ' LEU . 87.7 m -45.03 -47.26 11.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.624 HD11 HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -99.55 23.67 9.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.387 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' LEU . 5.6 t-20 39.1 30.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.451 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -83.91 162.88 51.0 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 137.89 22.18 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.471 1.774 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -46.83 -51.88 35.92 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 110.339 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.6 Cg_endo -74.96 52.96 3.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.801 . . . . 0.0 111.088 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.77 -45.07 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.624 HD11 HD11 ' A' ' 26' ' ' LEU . 31.9 mm -78.24 -37.83 22.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.167 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -56.16 -39.81 72.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.71 -46.67 88.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.83 -47.73 79.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 111.026 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.76 HD21 HD11 ' A' ' 11' ' ' LEU . 21.1 mt -55.37 -41.57 72.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -45.63 93.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.6 1.187 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -60.95 -50.13 74.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.675 HD11 ' CD2' ' A' ' 4' ' ' LEU . 64.7 mt -58.59 -42.21 87.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.96 -50.89 71.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.234 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -53.95 -46.44 71.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.982 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 mtt -64.37 -54.53 31.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.5 40.63 0.49 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -101.57 -64.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.18 173.6 7.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.471 HG11 ' HD2' ' A' ' 78' ' ' ARG . 20.2 m -136.11 157.42 37.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.514 ' HD2' ' CH2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -88.58 139.45 30.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' TRP . 49.7 mm -120.2 152.4 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.389 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.07 161.04 18.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.573 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 2.1 mt-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.334 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -61.45 136.75 58.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.573 ' CZ2' ' CD ' ' A' ' 51' ' ' GLU . 18.5 m0 -95.6 170.06 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 108.07 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.67 ' CG ' HD13 ' A' ' 37' ' ' LEU . 96.2 m95 -124.13 149.52 46.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 108.067 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.26 168.54 26.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.471 HD11 ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -100.51 160.79 14.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.162 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HD2' HG11 ' A' ' 47' ' ' VAL . 5.0 tpt180 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.638 HD23 HD11 ' A' ' 40' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.1 mm -70.31 -27.35 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.774 ' NE2' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -75.82 -53.92 7.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.997 HG23 HG21 ' A' ' 22' ' ' ILE . 6.1 p -62.85 -34.71 67.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 8' ' ' ARG . 6.1 mtp-105 -66.7 -53.69 30.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -55.84 -47.13 77.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.541 HD12 ' HG2' ' A' ' 14' ' ' ARG . 1.4 mm? -61.92 -51.02 69.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.439 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 13.1 mt -56.4 -24.99 48.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.349 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.514 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.91 -59.65 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -58.32 -60.21 4.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.544 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -75.01 -6.65 50.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.439 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 68.24 -150.71 51.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.413 1.071 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.49 139.27 58.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.778 . . . . 0.0 110.335 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 tpt -177.33 148.7 0.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.503 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 0.9 OUTLIER -63.92 147.93 50.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 110.345 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.643 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . . . -59.11 -40.76 86.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.61 -36.89 2.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -51.31 11.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 110.251 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.997 HG21 HG23 ' A' ' 7' ' ' VAL . 5.6 mt -54.57 -51.04 54.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.432 ' HB2' HG22 ' A' ' 28' ' ' THR . 28.8 p -50.18 -42.31 51.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.394 1.058 . . . . 0.0 110.029 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.36 -45.55 87.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.226 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.2 m -60.66 -43.76 97.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.473 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.774 HD22 ' NE2' ' A' ' 6' ' ' GLN . 9.3 mt -83.17 6.81 18.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 48.63 51.35 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.462 ' CG2' HG12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -124.84 164.22 32.49 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.4 Cg_endo -74.95 133.64 16.91 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 111.041 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.3 OUTLIER -41.59 -51.52 8.95 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.351 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -75.01 53.91 3.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.782 . . . . 0.0 111.008 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.64 -46.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.462 HG12 ' CG2' ' A' ' 28' ' ' THR . 49.5 mm -75.23 -36.2 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -52.48 -38.07 58.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.73 -47.0 80.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.416 ' SD ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -62.31 -52.36 63.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.643 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 13.6 mt -53.7 -41.03 66.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -42.0 97.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 110.248 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -66.57 -50.79 61.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.638 HD11 HD23 ' A' ' 4' ' ' LEU . 85.0 mt -56.99 -46.13 82.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -50.66 71.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.248 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.8 t -54.37 -45.79 72.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 110.015 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 mtp -69.96 -45.92 66.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.7 46.78 1.17 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.2 -43.9 5.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.88 172.0 7.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.0 m -127.4 158.1 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.22 139.12 30.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.17 . . . . 0.0 110.272 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.595 HG13 ' HB2' ' A' ' 76' ' ' ALA . 5.0 mm -118.82 147.24 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -110.97 150.68 28.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.263 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.18 . . . . 0.0 110.321 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -59.98 135.53 57.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.503 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 28.2 m0 -100.26 172.13 7.36 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.471 ' HB3' HD22 ' A' ' 37' ' ' LEU . 96.7 m95 -124.97 147.72 48.77 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.595 ' HB2' HG13 ' A' ' 49' ' ' ILE . . . -153.59 178.54 9.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.514 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 6.8 mt -97.91 158.5 15.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.365 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.731 ' CD2' HD11 ' A' ' 40' ' ' LEU . 4.5 mt . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.461 ' N ' HD13 ' A' ' 5' ' ' ILE . 5.2 mm -56.8 -41.56 75.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.579 ' NE2' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -58.72 -53.31 59.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.81 HG22 ' CG2' ' A' ' 22' ' ' ILE . 76.6 t -66.25 -48.25 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -52.37 -40.06 61.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -75.1 -47.13 30.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.601 1.188 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.806 ' HG ' HG21 ' A' ' 25' ' ' THR . 1.4 mm? -57.68 -50.95 71.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.658 HD21 HD11 ' A' ' 22' ' ' ILE . 10.3 mt -55.0 -25.97 33.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.478 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.26 -59.12 2.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 13' ' ' LEU . 4.0 mm? -56.57 -59.81 4.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.445 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 4.8 mpt_? -73.99 -12.2 60.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.26 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.434 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 71.49 -142.72 34.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.96 122.07 24.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.7 mmt -153.51 175.13 13.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.527 ' HB3' ' CD1' ' A' ' 74' ' ' TRP . 4.0 pm0 -83.27 161.23 21.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.484 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -67.88 -40.43 83.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.55 -38.43 6.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.363 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -50.17 19.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.81 ' CG2' HG22 ' A' ' 7' ' ' VAL . 17.0 mt -53.04 -51.43 38.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.419 ' HB2' HG22 ' A' ' 28' ' ' THR . 51.9 p -55.3 -42.01 73.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -58.95 -44.97 91.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.806 HG21 ' HG ' ' A' ' 10' ' ' LEU . 48.0 m -44.87 -47.69 11.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.465 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.663 HD23 ' HB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -106.01 25.43 10.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LEU . 1.2 t30 37.12 34.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -85.4 162.78 47.35 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.44 20.3 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.58 1.832 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -43.17 -52.59 12.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -74.99 53.56 3.37 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.394 1.734 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -143.06 -44.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.77 HD12 HG21 ' A' ' 7' ' ' VAL . 21.7 mm -77.88 -35.4 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -57.02 -38.57 73.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.98 98.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.458 ' SD ' HD13 ' A' ' 33' ' ' ILE . 4.2 mtp -73.46 -41.47 63.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.692 ' CD1' HG22 ' A' ' 33' ' ' ILE . 22.5 mt -61.07 -33.65 73.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.215 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.61 -45.14 69.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.113 . . . . 0.0 110.248 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -61.38 -46.82 88.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.731 HD11 ' CD2' ' A' ' 4' ' ' LEU . 5.5 mt -59.07 -43.96 91.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -57.39 -51.73 68.25 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.148 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -54.05 -50.12 67.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.979 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 mtt -62.64 -52.83 61.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.45 45.0 0.53 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -100.62 -66.25 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 109.348 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.91 175.69 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.6 m -135.3 155.79 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.18 134.08 33.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 49' ' ' ILE . 24.2 mm -110.65 151.21 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -114.59 152.36 31.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.452 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 2.0 mt-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.359 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -61.57 133.51 55.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.527 ' CD1' ' HB3' ' A' ' 18' ' ' GLU . 19.6 m0 -98.51 170.96 8.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 108.016 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -124.6 146.86 48.83 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.96 175.53 13.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 17.3 mt -92.9 156.29 17.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.5 tpt85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 8' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.581 ' H ' HD12 ' A' ' 5' ' ' ILE . 2.3 mp -57.51 -30.55 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.613 ' O ' HD23 ' A' ' 10' ' ' LEU . 2.4 mt-30 -63.55 -53.56 49.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.069 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.047 HG23 HG21 ' A' ' 22' ' ' ILE . 6.1 p -68.12 -38.06 79.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.476 ' O ' HD11 ' A' ' 77' ' ' LEU . 18.6 mtt85 -61.41 -39.73 91.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -75.03 -48.02 26.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 6' ' ' GLN . 4.1 mm? -57.32 -46.0 83.68 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.67 HD22 ' HA ' ' A' ' 76' ' ' ALA . 8.2 mt -54.38 -31.32 54.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.674 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.55 -56.27 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.3 mt -53.69 -59.63 4.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 10' ' ' LEU . 11.2 mmm180 -82.46 2.98 30.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.471 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 57.9 -147.46 37.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.09 122.05 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.743 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 23.6 mmt -154.31 175.36 13.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.554 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 7.2 tp10 -86.43 153.63 21.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 18' ' ' GLU . . . -63.45 -47.41 81.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.75 -38.06 3.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -71.74 -51.77 21.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.047 HG21 HG23 ' A' ' 7' ' ' VAL . 11.7 mt -58.93 -43.37 88.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 28' ' ' THR . 80.0 p -57.95 -40.96 81.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -44.9 88.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.325 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.468 HG21 ' HG ' ' A' ' 10' ' ' LEU . 6.3 m -45.99 -45.52 15.82 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.501 1.126 . . . . 0.0 110.483 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.555 HD11 HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -100.38 23.19 10.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' LEU . 1.8 m-20 39.66 29.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -85.04 162.54 49.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.408 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 137.83 22.43 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.393 1.733 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.517 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -48.94 -50.49 61.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.328 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.5 Cg_endo -74.95 52.4 3.03 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 111.056 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.0 tpt -145.33 -44.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.555 HD11 HD11 ' A' ' 26' ' ' LEU . 22.9 mm -79.27 -35.55 17.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -59.13 -43.5 91.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.72 -46.83 86.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -49.68 75.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.562 HD13 ' CD1' ' A' ' 75' ' ' TRP . 20.3 mt -54.09 -43.85 70.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.235 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -45.5 87.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.125 . . . . 0.0 110.245 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -60.67 -48.69 80.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.445 HD11 ' CD2' ' A' ' 4' ' ' LEU . 46.3 mt -57.81 -45.35 86.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.596 1.185 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -54.22 -50.16 67.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.8 t -54.05 -48.67 70.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.01 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 mtm -64.84 -49.51 70.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 113.35 48.61 0.59 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -100.95 -69.16 0.78 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 0.739 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.99 178.51 6.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.6 m -135.64 157.1 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.532 ' HG2' ' CZ3' ' A' ' 75' ' ' TRP . 0.1 OUTLIER -86.99 139.41 30.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 74' ' ' TRP . 3.7 mm -117.51 151.78 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -113.38 151.55 31.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.403 1.065 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 110.301 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.86 135.93 37.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.174 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.554 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 19.4 m0 -100.92 172.02 7.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.999 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.562 ' CD1' HD13 ' A' ' 37' ' ' LEU . 95.4 m95 -125.78 147.92 49.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 108.014 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.67 ' HA ' HD22 ' A' ' 11' ' ' LEU . . . -155.98 166.73 32.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.674 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 33.7 mt -82.57 156.42 23.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.3 tpt85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.595 HD22 ' SD ' ' A' ' 36' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.2 mm -60.8 -35.12 62.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.36 -54.71 36.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.04 HG23 HG21 ' A' ' 22' ' ' ILE . 7.3 p -65.42 -36.93 78.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -67.92 -48.39 66.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.64 ' OD1' HD22 ' A' ' 13' ' ' LEU . 17.7 t0 -59.12 -50.38 74.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.561 HD12 ' HG2' ' A' ' 14' ' ' ARG . 1.4 mm? -58.95 -51.05 71.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.594 HD11 HD21 ' A' ' 37' ' ' LEU . 11.8 mt -55.77 -25.36 40.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.638 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.92 -59.68 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.64 HD22 ' OD1' ' A' ' 9' ' ' ASP . 7.1 mp -57.73 -60.27 3.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.561 ' HG2' HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -74.38 -7.75 53.94 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 67.28 -141.68 39.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.03 137.48 53.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 110.319 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 45.1 tpp -176.04 160.39 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.457 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 2.1 tm-20 -77.05 165.09 25.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.411 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -68.18 -37.5 81.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.64 -37.86 2.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -52.17 9.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.04 HG21 HG23 ' A' ' 7' ' ' VAL . 8.6 mt -54.22 -50.9 52.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.429 ' HB2' HG22 ' A' ' 28' ' ' THR . 59.5 p -55.27 -41.56 72.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -45.42 90.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.527 ' HB ' HD23 ' A' ' 26' ' ' LEU . 44.7 m -50.02 -45.42 51.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 110.424 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.697 HD11 HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -103.32 20.81 17.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' LEU . 2.1 t30 38.84 32.23 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.434 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -83.49 163.19 50.84 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.361 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 137.67 22.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 111.038 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -45.34 -52.22 22.75 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -75.05 52.7 3.14 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.575 1.829 . . . . 0.0 111.059 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.8 tpt -142.77 -47.97 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.041 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.697 HD11 HD11 ' A' ' 26' ' ' LEU . 44.8 mm -74.41 -37.56 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -53.15 -41.61 65.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.15 -47.12 86.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.595 ' SD ' HD22 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -62.98 -49.97 72.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.594 HD21 HD11 ' A' ' 11' ' ' LEU . 20.0 mt -54.38 -40.37 68.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -42.49 96.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -60.73 -50.55 73.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.56 HD11 HD11 ' A' ' 4' ' ' LEU . 4.0 mt -60.01 -39.03 84.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.52 -50.76 68.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.235 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 t -53.81 -45.84 70.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.005 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.3 mtp -70.9 -47.55 58.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.963 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.46 47.09 0.88 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 0.0 111.058 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -102.07 -43.35 5.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.589 0.817 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.37 176.74 5.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.4 m -133.37 153.23 36.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -83.48 139.05 33.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.532 HG13 ' HB2' ' A' ' 76' ' ' ALA . 3.6 mm -119.52 151.33 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -115.11 152.83 31.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -73.56 134.52 43.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.457 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 17.5 m0 -99.77 172.02 7.52 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -123.71 148.82 46.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.532 ' HB2' HG13 ' A' ' 49' ' ' ILE . . . -152.74 174.09 14.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.638 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 16.0 mt -90.05 158.76 17.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.436 ' N ' HD13 ' A' ' 5' ' ' ILE . 5.8 mm -53.82 -41.44 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.713 ' NE2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -58.29 -49.9 75.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.895 HG13 HG21 ' A' ' 22' ' ' ILE . 78.0 t -68.92 -46.06 79.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -58.17 -51.15 70.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -56.56 -51.28 69.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.386 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.558 HD12 ' HG2' ' A' ' 14' ' ' ARG . 1.3 mm? -60.04 -51.44 69.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.597 ' CD2' HD11 ' A' ' 22' ' ' ILE . 9.8 mt -55.24 -25.02 30.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.372 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.699 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -87.12 -59.25 2.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.373 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.19 -60.4 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.233 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.558 ' HG2' HD12 ' A' ' 10' ' ' LEU . 4.5 mpt_? -72.66 -8.75 56.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.42 -139.47 45.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.569 1.168 . . . . 0.0 111.053 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.448 ' HA ' ' HB2' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -67.08 121.39 15.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.757 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -161.18 147.7 14.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.599 ' O ' HD12 ' A' ' 22' ' ' ILE . 4.0 tp10 -63.38 153.73 34.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.605 1.191 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 18' ' ' GLU . . . -63.73 -42.92 97.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.98 -39.32 4.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -51.39 12.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.895 HG21 HG13 ' A' ' 7' ' ' VAL . 3.3 mt -55.06 -53.72 31.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 p -54.17 -44.64 71.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -44.99 73.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.524 ' HB ' HD23 ' A' ' 26' ' ' LEU . 71.8 m -44.73 -37.37 3.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.713 HD22 ' NE2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -113.79 35.19 4.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 26' ' ' LEU . 13.1 t-20 39.71 30.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.609 HG23 ' HD2' ' A' ' 29' ' ' PRO . 22.5 m -83.16 145.38 48.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.609 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.04 136.33 20.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.472 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -39.71 -53.11 4.67 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 17.9 Cg_endo -75.0 53.76 3.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.541 1.811 . . . . 0.0 110.945 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.98 -44.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.607 HD12 HG21 ' A' ' 7' ' ' VAL . 43.7 mm -76.52 -33.16 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -56.01 -40.39 73.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.365 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.58 -47.22 86.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.243 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -43.19 94.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.571 ' HA ' HD12 ' A' ' 40' ' ' LEU . 25.4 mt -59.24 -45.64 90.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -43.13 68.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -56.52 -49.13 75.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 37' ' ' LEU . 5.4 mt -60.39 -41.91 94.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.3 -50.12 74.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -47.11 71.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.2 mtp -70.21 -45.34 66.77 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.501 1.126 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.26 47.46 0.93 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -102.45 -56.63 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.374 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.579 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -94.19 173.89 7.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.9 m -135.73 157.21 38.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.463 ' HG2' ' CZ3' ' A' ' 75' ' ' TRP . 0.6 OUTLIER -84.38 139.18 32.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' TRP . 33.8 mm -117.28 152.08 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -116.26 151.97 34.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.57 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 1.6 mt-10 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.372 -0.232 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -63.33 133.51 54.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.57 ' CZ2' ' CD ' ' A' ' 51' ' ' GLU . 21.7 m0 -97.94 171.51 8.23 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.463 ' CZ3' ' HG2' ' A' ' 48' ' ' ARG . 95.5 m95 -124.53 147.31 48.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.579 ' O ' ' HB1' ' A' ' 46' ' ' ALA . . . -156.17 178.31 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.699 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 10.5 mt -92.14 167.4 12.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.361 179.921 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.765 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.452 ' N ' HD13 ' A' ' 5' ' ' ILE . 5.5 mm -55.04 -42.57 65.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.168 . . . . 0.0 109.246 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.636 ' NE2' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -58.4 -53.15 61.6 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.05 HG22 ' CG2' ' A' ' 22' ' ' ILE . 17.7 t -65.73 -47.16 86.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -55.07 -40.57 70.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.07 -46.5 34.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.794 ' HG ' HG21 ' A' ' 25' ' ' THR . 2.2 mm? -56.75 -51.07 70.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.498 ' CB ' HD21 ' A' ' 77' ' ' LEU . 9.0 mt -56.05 -24.97 42.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.475 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.67 -59.14 2.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 mp -56.96 -59.74 4.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.229 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.483 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 5.1 mpt_? -73.66 -10.01 59.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.9 -148.19 51.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 117.94 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 110.229 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.7 mmt -154.17 162.5 41.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.661 ' OE2' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -68.3 156.19 38.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.31 -46.01 78.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.661 ' HB3' ' OE2' ' A' ' 18' ' ' GLU . . . -43.61 -37.2 2.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.447 ' N ' ' OE1' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -70.2 -49.47 49.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.05 ' CG2' HG22 ' A' ' 7' ' ' VAL . 5.1 mt -59.3 -47.68 89.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.435 ' HB2' HG22 ' A' ' 28' ' ' THR . 84.2 p -55.05 -42.08 72.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.045 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -61.99 -46.57 88.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.24 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.794 HG21 ' HG ' ' A' ' 10' ' ' LEU . 2.0 m -47.37 -33.05 5.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.404 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.636 HD22 ' NE2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -115.75 24.03 11.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' LEU . 3.3 t30 36.91 34.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -89.01 162.29 38.35 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.428 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 139.72 24.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -48.04 -52.04 43.64 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.1 Cg_endo -74.98 53.23 3.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.04 -49.15 0.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.648 HD12 HG21 ' A' ' 7' ' ' VAL . 45.7 mm -72.3 -35.28 51.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -56.49 -41.11 76.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.229 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.04 -46.61 87.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -45.52 87.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.056 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 75' ' ' TRP . 24.8 mt -55.19 -40.35 70.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -46.75 87.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -60.0 -48.96 79.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.765 HD11 ' CD2' ' A' ' 4' ' ' LEU . 66.8 mt -60.61 -41.71 95.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.21 -50.34 73.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t -53.97 -49.99 67.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.1 . . . . 0.0 109.974 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.3 mtt -63.01 -45.39 92.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.73 46.62 0.83 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.14 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -102.94 -64.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.55 178.25 6.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.636 HG11 ' HD2' ' A' ' 78' ' ' ARG . 34.2 m -139.38 156.25 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.403 ' HG2' ' CZ3' ' A' ' 75' ' ' TRP . 0.4 OUTLIER -85.99 139.19 31.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 49' ' ' ILE . 34.1 mm -117.29 151.02 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -114.1 150.75 33.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.229 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -64.2 138.12 58.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.567 ' CD1' ' HB3' ' A' ' 18' ' ' GLU . 14.6 m0 -102.71 170.95 7.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.008 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.526 ' CD1' HD13 ' A' ' 37' ' ' LEU . 94.3 m95 -123.42 147.09 47.47 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.482 ' HA ' HD22 ' A' ' 11' ' ' LEU . . . -156.02 177.24 11.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.498 HD21 ' CB ' ' A' ' 11' ' ' LEU . 10.5 mt -99.19 159.12 15.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.636 ' HD2' HG11 ' A' ' 47' ' ' VAL . 7.3 tpt180 . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.646 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.507 ' N ' HD13 ' A' ' 5' ' ' ILE . 4.5 mm -52.39 -42.27 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 109.351 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.492 ' NE2' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -58.23 -52.92 63.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.081 HG22 ' CG2' ' A' ' 22' ' ' ILE . 14.9 t -66.16 -46.97 86.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -47.24 79.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -61.99 -51.04 69.65 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.662 ' HG ' HG21 ' A' ' 25' ' ' THR . 3.3 mm? -59.18 -49.08 79.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.481 HD22 ' HA ' ' A' ' 76' ' ' ALA . 6.4 mt -50.85 -28.82 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.815 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.13 -58.64 2.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.1 mt -52.93 -60.17 3.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -76.55 -9.21 58.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.449 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 66.96 -146.22 47.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.653 ' CB ' ' HB2' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -70.58 120.67 16.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 0.742 . . . . 0.0 110.252 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 16' ' ' ARG . 26.2 mmt -155.45 175.49 13.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.521 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 5.0 tp10 -81.53 146.41 30.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.571 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -60.47 -42.71 96.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.383 1.052 . . . . 0.0 109.301 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.94 -37.99 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -74.91 -49.07 21.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.081 ' CG2' HG22 ' A' ' 7' ' ' VAL . 7.0 mt -55.79 -46.03 79.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 p -57.63 -48.31 79.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.77 -44.88 74.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.286 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.662 HG21 ' HG ' ' A' ' 10' ' ' LEU . 81.6 m -48.01 -33.29 7.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.405 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.492 HD22 ' NE2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -116.22 33.46 5.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' LEU . 44.3 t-20 39.16 30.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.713 HG23 ' HD2' ' A' ' 29' ' ' PRO . 5.8 m -87.2 146.45 40.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.713 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.0 135.1 18.63 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.389 1.731 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.476 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -38.78 -52.94 3.55 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.241 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.05 53.06 3.24 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.458 ' HB3' ' CG2' ' A' ' 28' ' ' THR . 0.3 OUTLIER -146.86 -44.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 111.017 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.492 HD12 HG21 ' A' ' 7' ' ' VAL . 32.3 mm -75.42 -35.59 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -53.54 -39.55 64.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.93 -46.27 82.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -48.31 73.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.072 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 21.5 mt -56.61 -38.03 71.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -33.8 76.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -45.17 40.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.646 HD11 ' CD2' ' A' ' 4' ' ' LEU . 49.8 mt -61.18 -38.94 88.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.79 -51.31 70.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.26 -46.95 72.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mtt -63.1 -51.14 67.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.41 47.32 1.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -102.05 -56.54 2.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -93.75 170.84 9.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.3 m -124.73 155.83 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -91.15 136.99 32.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 74' ' ' TRP . 42.6 mm -118.91 152.21 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -120.76 149.81 41.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.24 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.07 136.65 56.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.521 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 18.6 m0 -100.58 169.82 8.79 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.447 ' CD1' HD13 ' A' ' 37' ' ' LEU . 93.2 m95 -133.74 148.02 51.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 107.995 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.653 ' HB2' ' CB ' ' A' ' 16' ' ' ARG . . . -155.54 172.57 18.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.815 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 9.5 mt -86.73 156.05 20.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.7 mm -56.85 -41.42 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.568 ' NE2' HD22 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -58.29 -53.23 60.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.119 HG13 HG21 ' A' ' 22' ' ' ILE . 24.4 t -66.9 -47.15 83.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.686 ' O ' HD11 ' A' ' 77' ' ' LEU . 9.5 mtm180 -55.5 -49.51 72.37 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -56.42 -51.28 68.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.341 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.908 ' HG ' HG21 ' A' ' 25' ' ' THR . 2.5 mm? -61.23 -51.09 70.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.596 HD22 ' HA ' ' A' ' 76' ' ' ALA . 5.5 mt -51.62 -29.74 18.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.064 . . . . 0.0 109.232 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.748 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -86.43 -57.73 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.4 mt -53.36 -60.37 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.542 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -76.72 -8.54 57.48 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 65.36 -154.85 50.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.433 1.083 . . . . 0.0 110.997 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.685 ' HB3' ' HB2' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -63.0 117.56 6.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 110.325 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 30.6 mmm -150.94 175.41 12.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 111.003 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 19' ' ' ALA . 13.8 tp10 -72.2 140.17 48.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.95 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -56.38 -49.36 74.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.97 -39.92 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -43.08 87.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.119 HG21 HG13 ' A' ' 7' ' ' VAL . 7.0 mt -61.45 -51.76 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 p -55.75 -45.46 78.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -44.85 72.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.908 HG21 ' HG ' ' A' ' 10' ' ' LEU . 68.3 m -44.25 -37.17 3.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.382 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.568 HD22 ' NE2' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -115.1 36.38 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.1 t30 39.29 31.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.746 HG23 ' HD2' ' A' ' 29' ' ' PRO . 3.4 m -84.45 146.81 48.21 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.179 . . . . 0.0 110.326 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.746 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.6 Cg_endo -74.9 134.09 17.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.476 1.777 . . . . 0.0 111.032 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.474 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.9 OUTLIER -38.13 -52.84 3.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.0 53.21 3.27 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.446 1.761 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.466 ' HB3' ' CG2' ' A' ' 28' ' ' THR . 4.6 tpt -146.6 -44.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.562 HG22 ' CD1' ' A' ' 37' ' ' LEU . 25.0 mm -75.72 -34.54 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -53.12 -34.86 58.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.143 . . . . 0.0 109.25 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.33 -47.26 74.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.273 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.434 ' SD ' HD22 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -62.43 -50.74 70.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 110.98 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.562 ' CD1' HG22 ' A' ' 33' ' ' ILE . 8.4 mt -53.94 -41.77 68.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -34.21 68.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -69.91 -46.44 65.38 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 110.344 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.426 HD11 ' CD1' ' A' ' 4' ' ' LEU . 19.5 mt -59.43 -43.39 93.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -50.14 68.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -53.92 -45.55 71.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.58 -46.46 66.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.43 45.93 1.38 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -102.32 -53.49 2.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.384 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -96.42 170.46 9.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.4 m -133.79 157.68 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.408 ' HD3' ' CH2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -91.32 138.46 31.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.605 HD11 ' HB3' ' A' ' 76' ' ' ALA . 4.3 mp -120.75 147.29 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -109.6 152.24 25.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.54 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.24 131.89 49.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.54 ' CZ2' ' CD ' ' A' ' 51' ' ' GLU . 44.5 m0 -89.41 165.15 14.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 107.984 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.414 ' CD1' HD13 ' A' ' 37' ' ' LEU . 96.3 m95 -121.55 150.87 41.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 107.988 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.685 ' HB2' ' HB3' ' A' ' 16' ' ' ARG . . . -153.92 174.57 14.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.748 HD12 ' HB2' ' A' ' 12' ' ' ALA . 21.9 mt -98.79 155.4 17.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.707 ' CD1' HD11 ' A' ' 40' ' ' LEU . 2.1 mm? . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.433 ' H ' HD12 ' A' ' 5' ' ' ILE . 2.1 mp -49.31 -39.41 13.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.537 1.148 . . . . 0.0 109.241 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.648 ' NE2' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -58.58 -46.49 86.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.267 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.975 HG13 HG21 ' A' ' 22' ' ' ILE . 49.8 t -73.38 -47.86 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.728 ' O ' HD11 ' A' ' 77' ' ' LEU . 19.8 mtp180 -53.65 -41.29 66.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.16 -50.6 46.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.895 ' HG ' HG21 ' A' ' 25' ' ' THR . 1.5 mm? -58.06 -50.99 71.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.473 HD21 HD11 ' A' ' 22' ' ' ILE . 9.1 mt -55.35 -25.72 36.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.658 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.4 -59.04 2.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -57.15 -59.82 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.576 ' HD3' HD13 ' A' ' 10' ' ' LEU . 4.8 mpt_? -73.55 -11.15 60.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 68.27 -146.46 45.98 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -67.91 120.6 14.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 0.735 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.2 mmt -154.29 175.29 13.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.28 163.04 15.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.32 84.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.87 -38.64 7.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -51.96 10.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.975 HG21 HG13 ' A' ' 7' ' ' VAL . 32.2 mt -53.08 -47.15 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.413 ' HB2' HG22 ' A' ' 28' ' ' THR . 83.2 p -55.31 -46.2 76.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 110.052 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -57.4 -45.63 84.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.895 HG21 ' HG ' ' A' ' 10' ' ' LEU . 58.3 m -45.76 -40.02 8.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.648 HD22 ' NE2' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -110.92 24.84 12.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.237 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER 37.69 33.2 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -86.68 162.51 44.62 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 110.441 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.76 19.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.4 OUTLIER -44.78 -51.66 21.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.6 Cg_endo -74.88 53.2 3.21 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.525 1.802 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.5 tpp -143.8 -49.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 110.999 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.657 HG22 ' CD1' ' A' ' 37' ' ' LEU . 22.4 mm -71.39 -32.68 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -57.28 -37.98 73.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.15 -46.18 71.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -50.65 69.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.068 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.657 ' CD1' HG22 ' A' ' 33' ' ' ILE . 19.6 mt -53.89 -40.57 66.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -42.92 92.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.246 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -58.51 -52.55 65.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.707 HD11 ' CD1' ' A' ' 4' ' ' LEU . 26.8 mt -52.51 -44.84 65.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.16 -53.61 51.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -53.91 -45.73 71.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.054 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mtt -66.73 -47.76 71.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.85 43.77 1.5 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.131 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -101.08 -54.62 2.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.23 173.67 7.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.6 m -133.47 157.53 42.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.07 139.19 31.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' TRP . 29.6 mm -117.01 150.41 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.39 161.47 15.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.33 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.334 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -60.06 139.73 57.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ILE . 15.0 m0 -104.02 171.71 7.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -123.81 148.74 46.44 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.439 ' HA ' HD22 ' A' ' 11' ' ' LEU . . . -155.78 176.54 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.728 HD11 ' O ' ' A' ' 8' ' ' ARG . 20.0 mt -94.23 163.32 13.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 tpt85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.228 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.445 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.541 ' H ' HD12 ' A' ' 5' ' ' ILE . 2.1 mp -52.45 -36.01 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.775 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.4 mt-30 -58.63 -53.1 62.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.843 HG22 ' CG2' ' A' ' 22' ' ' ILE . 53.0 t -66.79 -48.19 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.421 ' O ' HD11 ' A' ' 77' ' ' LEU . 96.2 mtt180 -53.41 -46.75 69.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.71 -50.95 70.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.897 ' HG ' HG21 ' A' ' 25' ' ' THR . 4.2 mm? -58.79 -48.73 80.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 11' ' ' LEU . 9.2 mt -55.41 -27.62 48.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.497 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.51 -59.11 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.419 ' HA ' HD13 ' A' ' 13' ' ' LEU . 4.0 mm? -54.34 -58.29 7.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.224 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -82.86 7.69 14.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 110.352 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 51.07 -140.55 22.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.56 ' HB3' ' HB2' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -72.58 121.56 19.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 110.273 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.4 mmm -148.92 175.46 11.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.607 ' OE1' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -81.95 159.28 23.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.886 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -67.9 -40.24 83.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.607 ' HB3' ' OE1' ' A' ' 18' ' ' GLU . . . -50.46 -39.65 48.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -41.68 77.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.112 . . . . 0.0 110.347 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.886 HD12 ' HA ' ' A' ' 19' ' ' ALA . 19.2 mt -60.07 -47.67 90.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 28' ' ' THR . 43.3 p -60.01 -39.84 87.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.957 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -44.59 95.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.897 HG21 ' HG ' ' A' ' 10' ' ' LEU . 4.4 m -47.88 -46.24 31.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 110.408 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.492 HD23 ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -108.56 22.57 15.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER 37.91 32.43 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.463 HG21 HD11 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -80.01 163.06 59.74 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 134.98 18.49 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.441 1.759 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -44.01 -52.0 16.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.09 53.93 3.53 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.09 -47.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.463 HD11 HG21 ' A' ' 28' ' ' THR . 19.3 mm -74.3 -35.51 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -53.94 -36.86 63.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.84 -47.06 82.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -49.27 72.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.409 HD22 ' CG ' ' A' ' 75' ' ' TRP . 21.7 mt -54.13 -38.26 65.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -47.57 79.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.86 -49.23 77.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.445 HD11 ' CD2' ' A' ' 4' ' ' LEU . 56.6 mt -56.96 -46.91 81.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.73 -51.7 68.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -54.01 -48.87 70.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 0.0 109.941 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 mtp -66.33 -42.36 88.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.26 45.12 1.38 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.483 1.114 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -99.86 -63.06 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 0.81 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -91.11 175.32 6.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.165 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.35 155.71 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.564 ' HD2' ' CH2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -85.83 139.13 31.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.461 HG21 ' HD3' ' A' ' 16' ' ' ARG . 21.5 mm -117.65 152.01 19.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -117.97 152.5 35.35 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.07 143.91 54.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' ILE . 15.9 m0 -105.1 171.37 7.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.564 ' CH2' ' HD2' ' A' ' 48' ' ' ARG . 95.6 m95 -124.59 147.78 48.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 108.002 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.56 ' HB2' ' HB3' ' A' ' 16' ' ' ARG . . . -156.03 169.33 24.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.497 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 22.0 mt -86.06 156.39 20.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.501 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.435 ' N ' HD13 ' A' ' 5' ' ' ILE . 5.2 mm -65.41 -34.06 67.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.13 -53.76 50.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.98 HG23 HG21 ' A' ' 22' ' ' ILE . 5.1 p -64.86 -37.39 80.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.528 ' O ' HD11 ' A' ' 77' ' ' LEU . 3.5 mtt180 -67.16 -52.95 35.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -55.89 -49.24 73.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.23 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.808 ' HG ' HG21 ' A' ' 25' ' ' THR . 1.6 mm? -60.91 -48.08 83.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' A' ' 76' ' ' ALA . 10.0 mt -54.24 -29.51 46.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.827 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.82 -55.84 3.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.3 mt -55.58 -60.58 3.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.543 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -78.02 -7.44 56.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 70.29 -155.13 52.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.463 1.102 . . . . 0.0 111.058 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 138.56 57.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 0.792 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 45.0 tpp -177.17 158.35 1.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.552 ' HB3' ' CD1' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -69.45 153.58 43.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.252 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.741 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -65.64 -38.79 90.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.405 ' HB3' ' HG3' ' A' ' 18' ' ' GLU . . . -45.7 -37.69 6.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -50.82 12.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.379 1.049 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.98 HG21 HG23 ' A' ' 7' ' ' VAL . 5.7 mt -55.72 -38.0 49.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.507 ' HB2' HG22 ' A' ' 28' ' ' THR . 81.2 p -62.23 -49.63 74.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.95 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -44.57 80.12 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.808 HG21 ' HG ' ' A' ' 10' ' ' LEU . 5.8 m -44.83 -45.85 10.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.486 HD11 HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -104.4 30.99 4.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 109.263 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' LEU . 19.2 t30 39.11 30.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.552 HG21 HG12 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -86.74 151.27 52.34 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.428 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.485 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.1 Cg_endo -74.95 133.15 16.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.483 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -38.43 -52.57 3.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -74.99 54.14 3.55 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.524 1.802 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.477 ' HB3' HG23 ' A' ' 28' ' ' THR . 0.0 OUTLIER -145.31 -46.32 0.22 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.173 . . . . 0.0 110.968 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.552 HG12 HG21 ' A' ' 28' ' ' THR . 22.2 mm -76.49 -38.48 31.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.357 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -52.19 -38.01 56.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.8 91.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.363 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -48.96 68.76 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 26.2 mt -56.22 -36.43 68.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -37.12 84.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.24 -45.66 62.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.501 HD11 ' CD2' ' A' ' 4' ' ' LEU . 20.6 mt -60.59 -41.75 95.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.59 -50.75 71.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -54.04 -52.51 60.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.1 mtt -59.93 -45.89 91.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.47 45.58 2.12 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -98.7 -49.37 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -91.83 175.92 6.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.8 m -131.83 153.7 39.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -86.36 139.14 31.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.8 mm -117.64 151.91 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -110.65 152.15 26.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.356 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.15 142.22 57.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.368 1.042 . . . . 0.0 110.219 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.552 ' CD1' ' HB3' ' A' ' 18' ' ' GLU . 15.9 m0 -102.87 170.98 7.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 107.982 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -124.64 148.66 47.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 108.007 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.629 ' O ' ' HB1' ' A' ' 46' ' ' ALA . . . -156.16 178.58 10.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.827 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 9.5 mt -98.06 155.64 17.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.813 HD21 HD21 ' A' ' 40' ' ' LEU . 5.2 tp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.473 ' H ' HD12 ' A' ' 5' ' ' ILE . 2.5 mp -47.49 -41.92 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.437 ' NE2' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -58.57 -46.73 86.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.848 HG22 ' CG2' ' A' ' 22' ' ' ILE . 99.5 t -72.58 -48.2 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.448 HH21 ' CD2' ' A' ' 40' ' ' LEU . 93.2 mtt180 -50.82 -36.01 35.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.08 -49.26 20.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.503 ' HG ' HG21 ' A' ' 25' ' ' THR . 1.5 mm? -59.37 -51.3 70.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.041 HD21 HD11 ' A' ' 22' ' ' ILE . 12.2 mt -54.22 -25.04 20.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.51 ' N ' HD11 ' A' ' 77' ' ' LEU . . . -86.85 -59.48 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.47 -60.12 4.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' LEU . 6.0 mpt_? -71.41 -14.65 62.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.58 -154.84 53.37 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.54 ' CB ' ' HB2' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -64.12 120.72 12.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 0.737 . . . . 0.0 110.266 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.7 mmt -155.98 175.47 13.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.81 151.82 39.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.67 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -67.94 -40.01 83.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.74 -38.63 4.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.588 1.18 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -68.41 -47.53 67.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.215 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.041 HD11 HD21 ' A' ' 11' ' ' LEU . 22.4 mt -58.06 -44.67 87.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 28' ' ' THR . 51.3 p -57.39 -43.47 83.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 109.976 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -60.88 -44.88 96.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.567 ' HB ' HD23 ' A' ' 26' ' ' LEU . 95.5 m -44.78 -47.6 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.598 HD23 ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -105.02 24.96 11.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER 37.94 31.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -84.38 162.49 51.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.35 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.46 21.75 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.498 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -46.08 -51.63 31.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -74.98 53.01 3.2 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.16 -44.45 0.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.964 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.51 HD12 HG21 ' A' ' 7' ' ' VAL . 24.2 mm -77.38 -36.9 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -55.03 -42.18 72.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.361 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.15 -46.87 84.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -47.18 77.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.424 1.078 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.424 ' CD1' HG22 ' A' ' 33' ' ' ILE . 21.5 mt -56.58 -37.66 70.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -42.9 98.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -51.03 65.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.813 HD21 HD21 ' A' ' 4' ' ' LEU . 36.6 mt -56.83 -45.04 82.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.91 -50.68 70.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.1 t -54.04 -48.56 70.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.7 mtt -61.2 -54.87 38.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.06 38.04 0.62 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -106.22 -36.64 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.479 ' C ' HG13 ' A' ' 47' ' ' VAL . . . -100.46 -179.46 4.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.236 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.479 HG13 ' C ' ' A' ' 46' ' ' ALA . 22.0 m -155.19 146.03 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -89.29 138.81 31.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.77 HD11 ' HB3' ' A' ' 76' ' ' ALA . 4.1 mp -120.17 152.17 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.607 1.192 . . . . 0.0 109.368 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -110.89 150.65 28.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.508 ' HG3' ' CE2' ' A' ' 74' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.8 138.83 58.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.508 ' CE2' ' HG3' ' A' ' 51' ' ' GLU . 27.5 m0 -93.89 168.86 10.7 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -122.97 145.03 48.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 107.982 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.77 ' HB3' HD11 ' A' ' 49' ' ' ILE . . . -156.29 178.95 9.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.51 HD11 ' N ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -89.89 152.04 21.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.453 ' HA ' HG11 ' A' ' 47' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.472 ' CD1' HD11 ' A' ' 40' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.5 mm -63.56 -33.91 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.45 -53.41 55.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.02 HG23 HG21 ' A' ' 22' ' ' ILE . 5.6 p -67.78 -36.41 75.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.061 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.538 ' O ' HD11 ' A' ' 77' ' ' LEU . 9.6 mtp180 -67.1 -50.39 61.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -55.95 -49.32 73.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.772 ' HG ' HG21 ' A' ' 25' ' ' THR . 4.0 mm? -62.08 -47.78 83.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.753 HD11 HD21 ' A' ' 37' ' ' LEU . 12.0 mt -58.59 -25.78 62.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.796 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.73 -59.17 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.48 -59.41 5.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.401 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 10.1 mmm-85 -78.99 1.22 24.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.212 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 58.97 -142.59 46.27 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.469 1.106 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.538 ' HB3' ' HB2' ' A' ' 76' ' ' ALA . 3.5 ptt180 -66.65 131.23 45.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.583 0.813 . . . . 0.0 110.23 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.89 152.61 5.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 6.1 tp10 -68.07 160.01 29.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.811 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -68.41 -39.08 81.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.83 -38.13 3.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -47.23 20.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.02 HG21 HG23 ' A' ' 7' ' ' VAL . 8.6 mt -58.05 -44.99 88.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.37 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.421 ' HA ' HG22 ' A' ' 28' ' ' THR . 97.5 p -56.48 -46.47 80.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 109.974 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -58.1 -45.55 87.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.772 HG21 ' HG ' ' A' ' 10' ' ' LEU . 87.6 m -45.97 -47.43 16.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.446 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.565 HD11 HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -103.49 24.43 11.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LEU . 51.0 t-20 37.92 33.65 0.05 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.421 HG22 ' HA ' ' A' ' 23' ' ' SER . 0.5 OUTLIER -87.35 162.68 42.18 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 110.441 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD2' ' OG1' ' A' ' 28' ' ' THR . 18.6 Cg_endo -74.97 135.88 19.72 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.506 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -46.28 -50.83 37.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.361 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -75.06 53.36 3.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.1 ttp -145.86 -44.74 0.21 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.565 HD11 HD11 ' A' ' 26' ' ' LEU . 25.2 mm -77.41 -35.94 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -55.72 -40.94 73.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.38 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.39 -46.2 87.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.455 ' CE ' HD22 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -62.82 -51.53 66.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.753 HD21 HD11 ' A' ' 11' ' ' LEU . 20.1 mt -53.84 -39.38 65.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -30.97 70.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -53.18 18.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 4' ' ' LEU . 15.7 mt -54.54 -42.39 70.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.97 -51.27 70.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -53.9 -47.32 71.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.2 mtt -67.54 -43.35 80.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.53 45.44 1.32 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.561 1.163 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -100.53 -55.62 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.741 . . . . 0.0 109.235 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.92 175.91 6.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.0 m -132.01 158.13 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.354 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.688 HH21 ' CD ' ' A' ' 73' ' ' GLU . 2.3 ttt180 -91.93 135.83 33.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.733 HD11 ' HB3' ' A' ' 76' ' ' ALA . 3.9 mp -118.82 151.89 21.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -110.66 152.38 26.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.597 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.688 ' CD ' HH21 ' A' ' 48' ' ' ARG . 4.2 mp0 -59.95 137.74 58.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.597 ' CZ2' ' CD ' ' A' ' 51' ' ' GLU . 31.0 m0 -91.77 169.53 10.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 108.033 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.4 ' CZ2' ' HD2' ' A' ' 48' ' ' ARG . 97.2 m95 -125.6 148.62 48.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 108.01 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.733 ' HB3' HD11 ' A' ' 49' ' ' ILE . . . -155.05 160.25 40.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.796 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 30.6 mt -76.06 158.55 31.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.09 . . . . 0.0 109.239 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 36' ' ' MET . 1.5 mt . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.509 ' N ' HD13 ' A' ' 5' ' ' ILE . 4.3 mm -56.21 -41.98 71.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.868 ' NE2' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -58.09 -45.05 87.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.914 HG22 ' CG2' ' A' ' 22' ' ' ILE . 60.1 t -74.26 -45.82 46.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.581 1.176 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.5 ' HA ' HD21 ' A' ' 77' ' ' LEU . 3.2 mtt180 -59.51 -40.17 86.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -66.89 -46.56 74.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.96 ' HG ' HG21 ' A' ' 25' ' ' THR . 2.2 mm? -65.82 -51.37 59.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.751 HD21 HD11 ' A' ' 22' ' ' ILE . 9.3 mt -54.13 -28.38 39.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.442 ' HB2' HD13 ' A' ' 77' ' ' LEU . . . -86.77 -58.83 2.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 13' ' ' LEU . 41.8 mt -55.01 -61.06 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.542 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -76.33 -7.33 54.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 69.8 -154.52 52.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.417 ' CB ' ' HB2' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -59.97 139.92 57.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -177.21 151.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.872 ' OE1' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -61.43 158.87 13.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.35 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.811 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -67.73 -40.69 84.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.872 ' HB3' ' OE1' ' A' ' 18' ' ' GLU . . . -43.67 -38.06 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -52.1 15.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.226 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.914 ' CG2' HG22 ' A' ' 7' ' ' VAL . 6.2 mt -52.91 -46.61 52.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.45 ' HB2' HG22 ' A' ' 28' ' ' THR . 26.7 p -54.65 -46.62 74.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.046 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.79 -46.35 84.75 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.96 HG21 ' HG ' ' A' ' 10' ' ' LEU . 95.2 m -47.67 -34.79 8.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.868 HD22 ' NE2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -116.09 24.24 11.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.414 1.071 . . . . 0.0 109.355 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LEU . 4.4 t-20 38.18 31.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.483 HG21 HD11 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -86.65 159.86 51.61 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.98 135.37 19.02 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.533 1.807 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -44.33 -51.54 19.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.4 Cg_endo -74.98 53.29 3.28 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.543 1.812 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -145.26 -49.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.483 HD11 HG21 ' A' ' 28' ' ' THR . 48.9 mm -72.88 -38.4 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -51.85 -37.67 52.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.12 -42.0 72.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.365 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.548 ' HB3' HD21 ' A' ' 4' ' ' LEU . 8.0 mtt -73.6 -42.61 61.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.554 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 21.7 mt -60.57 -32.64 71.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -40.67 74.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.264 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -64.88 -48.43 74.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.1 mt -57.6 -41.1 80.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.09 -55.24 30.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.2 t -54.15 -48.44 70.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 mtm -66.34 -47.98 71.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.04 43.88 1.58 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -101.16 -42.81 6.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.15 178.5 5.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.1 m -136.63 155.71 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.7 139.12 30.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.387 1.054 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 74' ' ' TRP . 6.2 mm -116.16 151.89 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -112.83 151.83 29.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.609 1.193 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.18 136.98 58.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' ILE . 17.7 m0 -102.48 169.01 8.94 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -121.24 149.05 43.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 107.995 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.417 ' HB2' ' CB ' ' A' ' 16' ' ' ARG . . . -155.45 178.18 10.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.5 HD21 ' HA ' ' A' ' 8' ' ' ARG . 1.5 mp -96.51 159.26 15.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.397 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.6 tpt85 . . . . . 0 C--N 1.323 -0.552 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.946 ' CD1' HD11 ' A' ' 40' ' ' LEU . 1.7 mm? . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.4 mm -62.06 -37.18 77.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.569 ' NE2' ' CD2' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -58.92 -53.98 52.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.713 HG23 HG21 ' A' ' 22' ' ' ILE . 6.3 p -65.96 -36.77 78.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.529 ' O ' HD11 ' A' ' 77' ' ' LEU . 8.8 mtm180 -67.9 -36.09 79.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 110.355 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -75.08 -47.47 28.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.668 HD11 HG21 ' A' ' 25' ' ' THR . 2.0 mm? -57.35 -47.84 80.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.499 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 9.9 mt -53.0 -33.0 49.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.686 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -84.28 -57.91 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.1 mt -51.5 -60.11 3.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.537 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 4.7 mpt_? -78.04 -8.45 58.21 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 68.64 -156.84 53.26 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.404 ' O ' ' SD ' ' A' ' 17' ' ' MET . 0.3 OUTLIER -63.0 118.43 7.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 0.74 . . . . 0.0 110.322 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.404 ' SD ' ' O ' ' A' ' 16' ' ' ARG . 25.0 mmt -155.55 175.26 14.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.524 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 0.3 OUTLIER -86.79 163.24 17.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 110.339 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.755 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -67.93 -37.71 81.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.66 -37.9 6.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.55 1.156 . . . . 0.0 109.361 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -46.47 40.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 19' ' ' ALA . 11.6 mt -59.71 -55.31 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.8 p -50.0 -35.87 26.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.057 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -49.03 67.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.668 HG21 HD11 ' A' ' 10' ' ' LEU . 98.5 m -62.57 -49.98 73.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.404 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.569 ' CD2' ' NE2' ' A' ' 6' ' ' GLN . 20.3 mt -67.12 -10.14 47.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.19 34.54 8.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.509 HG23 ' HB3' ' A' ' 32' ' ' MET . 0.4 OUTLIER -113.85 164.62 15.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.451 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.01 135.2 18.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.966 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.489 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -39.0 -52.47 3.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.4 Cg_endo -74.99 53.87 3.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.509 ' HB3' HG23 ' A' ' 28' ' ' THR . 1.6 tpt -144.25 -49.29 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.558 HD11 ' CD1' ' A' ' 26' ' ' LEU . 12.0 mm -73.65 -30.28 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -54.69 -32.32 59.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 109.256 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.17 -46.33 71.03 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.593 1.183 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -49.47 72.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.465 ' CD1' HG22 ' A' ' 33' ' ' ILE . 17.1 mt -53.66 -36.53 62.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -41.63 96.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -63.91 -53.08 56.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.946 HD11 ' CD1' ' A' ' 4' ' ' LEU . 50.4 mt -55.82 -42.16 75.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -58.03 -52.59 64.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -53.87 -46.54 71.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 mtt -62.77 -48.68 78.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.04 47.87 0.98 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -102.5 -59.83 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 0.795 . . . . 0.0 109.349 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.637 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -90.98 -179.6 5.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.58 HG11 ' HD2' ' A' ' 78' ' ' ARG . 33.6 m -135.25 157.42 40.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.497 ' CD ' ' CH2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -91.48 139.38 30.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.5 mm -117.08 151.63 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -113.5 151.49 31.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.246 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -61.2 137.59 58.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.524 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 15.0 m0 -104.23 170.27 8.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 108.016 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.497 ' CH2' ' CD ' ' A' ' 48' ' ' ARG . 96.4 m95 -123.67 148.11 46.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 107.965 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.637 ' O ' ' HB1' ' A' ' 46' ' ' ALA . . . -156.13 178.85 9.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.686 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 11.4 mt -99.37 156.77 16.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.58 ' HD2' HG11 ' A' ' 47' ' ' VAL . 8.4 tpt180 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.597 1.186 . . . . 0.0 110.305 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.442 0.163 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.5 -174.8 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 p -96.91 160.64 14.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.785 HD21 ' HB3' ' A' ' 36' ' ' MET . 2.7 mt -76.0 -35.02 59.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 mm -51.85 -28.78 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -63.57 -53.28 54.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.348 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.875 HG23 HG21 ' A' ' 22' ' ' ILE . 6.0 p -65.69 -37.02 78.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -68.57 -47.43 66.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -62.08 -51.33 68.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.471 ' HG ' HG21 ' A' ' 25' ' ' THR . 3.6 mm? -58.37 -42.01 86.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.569 HD22 ' HA ' ' A' ' 76' ' ' ALA . 11.0 mt -58.89 -30.32 67.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.739 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.98 -51.96 5.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.3 mt -58.66 -59.91 4.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' LEU . 9.5 mmm-85 -82.02 3.45 26.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.456 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 57.99 -142.19 44.44 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.21 127.34 32.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.245 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 43.1 tpp -166.97 152.24 7.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.655 ' HG3' ' HB3' ' A' ' 20' ' ' ALA . 1.2 pt-20 -65.34 160.96 20.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.429 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . . . -68.15 -39.17 82.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.655 ' HB3' ' HG3' ' A' ' 18' ' ' GLU . . . -43.64 -38.16 2.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -52.03 14.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.875 HG21 HG23 ' A' ' 7' ' ' VAL . 5.7 mt -56.39 -49.49 76.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 28' ' ' THR . 50.4 p -53.38 -41.54 66.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.053 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -45.09 94.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.471 HG21 ' HG ' ' A' ' 10' ' ' LEU . 54.9 m -48.27 -46.15 35.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.406 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.71 HD11 HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -100.37 21.68 12.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' LEU . 7.7 t-20 39.12 30.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -83.4 163.36 50.31 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.376 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.2 21.44 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.536 1.808 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.495 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -45.97 -51.92 28.93 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.342 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.01 53.42 3.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.559 1.82 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.59 -48.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.71 HD11 HD11 ' A' ' 26' ' ' LEU . 22.6 mm -74.91 -38.38 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -55.2 -42.72 73.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.7 -46.82 86.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.785 ' HB3' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -63.88 -46.51 84.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.543 HD13 ' CD1' ' A' ' 75' ' ' TRP . 20.8 mt -54.21 -39.72 66.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -45.24 94.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.337 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -60.85 -52.38 65.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.545 HD11 HD22 ' A' ' 4' ' ' LEU . 56.3 mt -56.62 -45.21 81.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -56.13 -50.03 72.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -54.01 -48.02 70.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.044 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mtt -62.54 -51.94 65.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.58 46.38 0.62 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -102.46 -59.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.658 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -94.03 173.95 7.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.7 m -131.96 156.14 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.02 137.71 32.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 74' ' ' TRP . 21.6 mm -116.47 149.91 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -115.54 149.95 37.35 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 0.3 OUTLIER -105.18 167.57 9.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -41.26 146.3 0.53 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -126.41 164.07 21.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -155.81 175.38 33.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.1 p -170.43 163.58 8.56 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 57' ' ' LEU . 4.5 mm? -105.86 159.78 15.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.98 128.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.003 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -67.94 -115.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.98 91.74 4.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.96 158.27 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 108.32 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.01 134.67 47.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.16 120.23 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.954 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.39 164.16 19.24 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 108.315 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.55 1.816 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.44 59.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.48 -70.23 3.03 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.502 1.126 . . . . 0.0 111.046 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt 60.67 166.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 109.297 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.57 165.37 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.5 m -93.66 164.02 13.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.314 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -53.74 161.02 1.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.72 87.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -62.74 131.06 47.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.57 ' CD1' ' HB3' ' A' ' 18' ' ' GLU . 30.9 m0 -99.83 171.3 7.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 107.991 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.543 ' CD1' HD13 ' A' ' 37' ' ' LEU . 96.9 m95 -126.52 149.93 49.08 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.658 ' O ' ' HB1' ' A' ' 46' ' ' ALA . . . -155.15 178.99 9.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.739 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 18.9 mt -93.65 162.23 14.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.533 0.206 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.31 -169.33 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 p -90.44 159.84 16.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.011 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.24 -35.83 63.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.367 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.5 ' N ' HD13 ' A' ' 5' ' ' ILE . 4.6 mm -47.64 -39.02 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.653 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.2 mt-30 -58.28 -51.31 70.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 110.231 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.067 HG13 HG21 ' A' ' 22' ' ' ILE . 60.7 t -68.15 -48.06 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.17 . . . . 0.0 109.363 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -54.4 -44.94 72.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -65.16 -51.15 62.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.968 ' HG ' HG21 ' A' ' 25' ' ' THR . 4.2 mm? -57.01 -43.36 81.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.672 HD22 ' HA ' ' A' ' 76' ' ' ALA . 7.7 mt -56.53 -31.99 64.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.075 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.59 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.28 -55.7 3.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.4 mt -53.75 -59.51 4.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 10' ' ' LEU . 11.0 mmm180 -82.35 3.56 27.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.363 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.444 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 55.15 -141.76 36.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.431 1.082 . . . . 0.0 110.982 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.521 ' HA ' ' HB2' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -69.52 120.47 15.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 0.77 . . . . 0.0 110.339 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.405 ' SD ' ' O ' ' A' ' 16' ' ' ARG . 82.6 mmm -152.53 175.51 12.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 6.6 tp10 -91.98 161.81 14.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.35 -43.67 90.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.98 -40.3 4.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -51.93 15.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.067 HG21 HG13 ' A' ' 7' ' ' VAL . 19.9 mt -54.26 -43.35 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 28' ' ' THR . 13.7 p -59.84 -43.66 94.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.968 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.89 -44.39 97.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.968 HG21 ' HG ' ' A' ' 10' ' ' LEU . 3.7 m -47.26 -45.44 23.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 110.42 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -107.57 23.18 14.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' LEU . 57.1 t30 37.85 32.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -80.02 162.98 60.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.365 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 134.4 17.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.453 1.765 . . . . 0.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.485 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -41.73 -52.26 8.74 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.01 52.25 3.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.3 tpt -142.65 -45.2 0.31 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 111.068 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.716 HD12 HG21 ' A' ' 7' ' ' VAL . 23.2 mm -76.84 -31.29 19.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -61.36 -43.87 98.13 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.7 -45.16 95.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -52.4 61.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.512 ' CD1' HG22 ' A' ' 33' ' ' ILE . 25.6 mt -53.85 -38.53 64.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.95 -35.93 73.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -69.45 -49.77 51.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.248 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.3 mt -59.37 -41.24 88.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HB2' ' CZ3' ' A' ' 75' ' ' TRP . 1.4 tt0 -63.06 -52.09 64.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.2 t -53.99 -51.16 64.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.1 mtp -62.5 -48.41 79.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.069 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.76 45.73 0.95 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -100.23 -53.59 3.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.652 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -96.14 170.96 8.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.06 152.21 36.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.485 ' C ' HD12 ' A' ' 49' ' ' ILE . 7.0 mtt180 -85.19 139.17 31.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.516 HD11 ' HB3' ' A' ' 76' ' ' ALA . 3.6 mp -119.77 146.17 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -103.68 150.41 24.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.491 ' HG3' ' CE2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -115.13 169.02 9.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -43.01 121.58 2.97 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 111.031 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.98 164.82 19.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -40.82 157.83 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.6 m -147.8 -58.22 0.25 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 62.16 122.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.5 p -75.5 160.1 30.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.35 -140.56 4.31 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.59 1.181 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.22 164.12 25.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 110.025 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.4 p -70.24 150.42 46.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 108.355 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.64 117.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.1 p -173.77 169.68 4.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 110.038 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 13.2 t -163.74 72.67 1.8 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 108.346 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.491 1.785 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -124.82 -150.83 0.46 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.081 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 157.81 142.98 3.53 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.67 -179.12 2.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 0.752 . . . . 0.0 109.242 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -42.62 158.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 92.7 m -76.84 157.26 31.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -49.48 160.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.238 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.18 90.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.548 1.155 . . . . 0.0 110.352 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 49' ' ' ILE . 39.9 mt-10 -61.67 139.68 58.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.546 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 38.0 m0 -93.03 169.2 10.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 108.041 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.415 ' CZ3' ' HB2' ' A' ' 41' ' ' GLU . 95.6 m95 -123.56 148.7 46.09 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.672 ' HA ' HD22 ' A' ' 11' ' ' LEU . . . -156.03 179.25 9.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.59 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 5.8 mt -96.76 152.8 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.454 0.168 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.96 148.17 24.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 p 175.98 161.14 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.595 ' CD2' HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -55.84 -38.21 69.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.589 1.181 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 63.4 mt -55.56 -43.63 73.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -57.79 -53.07 62.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.971 HG22 ' CG2' ' A' ' 22' ' ' ILE . 46.4 t -65.59 -47.81 84.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.671 HH21 HD22 ' A' ' 40' ' ' LEU . 52.5 mtt180 -53.39 -45.26 69.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.69 -51.11 64.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.524 ' HA ' HD13 ' A' ' 10' ' ' LEU . 1.2 mm? -57.6 -51.1 70.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.799 HD21 HD11 ' A' ' 22' ' ' ILE . 9.2 mt -54.75 -26.37 33.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.524 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.2 -59.14 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 13' ' ' LEU . 3.1 mm? -55.34 -59.7 4.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.495 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 5.0 mpt_? -74.51 -11.61 60.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.367 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.432 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 69.15 -146.1 43.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.444 1.09 . . . . 0.0 110.943 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' HD3' HG21 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -64.82 125.7 25.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.754 . . . . 0.0 110.288 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.3 mmt -158.19 175.19 14.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.407 ' OE1' ' HA ' ' A' ' 18' ' ' GLU . 6.5 tp10 -91.28 161.7 14.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.381 1.05 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -66.18 -41.15 90.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.89 -39.32 3.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.04 -45.52 26.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.605 1.191 . . . . 0.0 110.278 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.971 ' CG2' HG22 ' A' ' 7' ' ' VAL . 38.1 mt -57.44 -50.12 78.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' THR . 68.1 p -58.63 -38.74 78.7 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.7 -44.81 93.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.592 HG22 HD23 ' A' ' 26' ' ' LEU . 1.1 m -50.73 -45.11 58.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.396 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.592 HD23 HG22 ' A' ' 25' ' ' THR . 0.1 OUTLIER -105.55 20.7 18.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 23' ' ' SER . 1.6 t-20 38.84 31.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.45 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -79.73 163.14 59.99 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 136.95 21.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.478 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -43.13 -53.28 10.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -75.03 53.18 3.27 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.779 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.55 -46.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.638 HD12 HG21 ' A' ' 7' ' ' VAL . 22.7 mm -75.8 -34.51 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.344 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -57.44 -42.06 81.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.52 -46.43 83.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.19 -49.95 72.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.534 HD13 ' CD1' ' A' ' 75' ' ' TRP . 28.8 mt -55.1 -40.65 70.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -45.57 92.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.238 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -61.22 -50.25 73.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.671 HD22 HH21 ' A' ' 8' ' ' ARG . 59.6 mt -58.46 -38.93 78.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -59.36 -52.71 64.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.8 t -55.69 -46.04 77.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.952 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.5 mtt -66.95 -49.38 65.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.31 47.68 0.85 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -100.32 -59.8 1.64 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.535 0.785 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.11 179.35 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.3 m -135.72 157.72 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.94 138.99 30.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.476 ' HA ' HD13 ' A' ' 49' ' ' ILE . 17.3 mm -117.82 151.71 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -111.92 153.62 26.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.54 165.36 11.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.287 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -46.62 107.08 0.64 Allowed Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.483 1.114 . . . . 0.0 110.363 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -85.2 163.68 18.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -142.13 92.21 0.18 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.563 1.165 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.9 t -174.7 152.62 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -53.26 121.29 7.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.0 p -114.65 100.58 8.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.042 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.27 156.64 0.18 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -114.79 114.31 25.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 0.0 110.043 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 76.25 -62.92 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 108.24 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.36 142.65 29.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.2 m -105.66 165.28 11.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.018 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -84.36 166.64 31.8 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 108.273 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -162.34 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.408 1.741 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.98 106.78 9.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.239 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 176.76 75.21 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.16 152.04 16.45 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.465 0.744 . . . . 0.0 109.266 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -48.43 120.03 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.2 m -77.76 150.98 34.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 108.281 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -55.5 160.84 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.63 88.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.43 139.49 58.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.426 ' HB2' HG22 ' A' ' 49' ' ' ILE . 14.3 m0 -104.0 172.04 7.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.534 ' CD1' HD13 ' A' ' 37' ' ' LEU . 96.5 m95 -123.76 148.8 46.31 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.97 174.13 15.78 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.601 1.188 . . . . 0.0 109.342 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.524 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 14.8 mt -87.23 157.58 19.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.494 0.188 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.52 ' HB1' HD13 ' A' ' 26' ' ' LEU . . . -80.67 178.1 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 p -173.0 159.31 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.931 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.433 HD23 ' CG1' ' A' ' 7' ' ' VAL . 0.8 OUTLIER -75.86 -34.37 60.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.8 mm -62.9 -26.99 42.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.834 ' NE2' HD22 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -69.18 -54.67 13.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.049 HG23 HG21 ' A' ' 22' ' ' ILE . 7.4 p -62.65 -34.94 68.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.437 ' O ' HD11 ' A' ' 77' ' ' LEU . 3.5 mtp180 -67.94 -41.63 82.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -73.63 -46.13 48.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.544 ' HG ' HG21 ' A' ' 25' ' ' THR . 2.6 mm? -57.44 -49.98 74.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.655 HD11 HD21 ' A' ' 37' ' ' LEU . 12.3 mt -55.95 -26.4 47.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.838 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -85.92 -59.19 2.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 13' ' ' LEU . 3.9 mm? -55.64 -59.81 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.516 ' HD3' HD13 ' A' ' 10' ' ' LEU . 5.4 mpt_? -73.93 -12.19 60.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 69.76 -146.77 44.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -65.81 120.45 13.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 12.4 mmt -153.82 175.23 13.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' OE1' ' CB ' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -92.1 163.86 13.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.57 -38.2 83.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.416 ' CB ' ' OE1' ' A' ' 18' ' ' GLU . . . -48.69 -38.05 20.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -52.17 13.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.049 HG21 HG23 ' A' ' 7' ' ' VAL . 19.9 mt -56.4 -51.44 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.44 ' HB2' HG22 ' A' ' 28' ' ' THR . 93.3 p -53.49 -41.22 66.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -44.64 96.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.411 1.069 . . . . 0.0 110.3 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.544 HG21 ' HG ' ' A' ' 10' ' ' LEU . 90.2 m -45.6 -39.58 7.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.834 HD22 ' NE2' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -112.34 25.07 11.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LEU . 1.2 t30 37.75 32.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.265 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -83.31 163.11 51.67 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.441 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.01 19.84 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.442 1.759 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.5 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -44.63 -51.89 19.74 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.4 Cg_endo -74.92 53.29 3.26 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.526 1.803 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.87 -46.18 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.406 HD11 HD11 ' A' ' 26' ' ' LEU . 23.1 mm -76.5 -38.27 31.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -53.64 -40.0 65.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.86 -46.52 87.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.39 -49.0 70.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.655 HD21 HD11 ' A' ' 11' ' ' LEU . 20.6 mt -55.86 -38.35 69.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -45.68 88.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -59.03 -49.15 78.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.578 1.174 . . . . 0.0 110.293 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.9 mt -56.63 -43.63 80.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.68 -53.83 53.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 t -53.99 -48.47 70.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.938 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.7 mtt -65.34 -45.67 83.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.39 44.53 1.45 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -100.63 -54.92 2.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.777 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.18 172.77 8.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 109.23 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.1 m -126.61 154.14 36.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -87.57 139.04 30.94 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.592 HG13 ' HB2' ' A' ' 76' ' ' ALA . 23.2 mm -118.33 151.78 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -113.8 152.88 30.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.148 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.48 170.26 8.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.51 120.17 42.54 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 111.048 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.99 166.15 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 113.82 107.23 2.76 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 31.6 p -94.26 141.35 28.66 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.02 109.09 16.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.3 m -145.85 83.47 1.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.035 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 128.02 138.56 4.65 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.452 1.095 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -125.79 102.55 7.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.979 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.55 127.98 41.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 108.247 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -51.3 144.39 9.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.89 121.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 6.7 t -155.4 98.85 2.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 108.269 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -162.14 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.553 1.817 . . . . 0.0 111.06 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.2 -149.59 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.247 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 179.77 -105.17 0.19 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -51.97 148.12 6.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.417 0.716 . . . . 0.0 109.236 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.14 176.38 2.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 94.6 m -57.11 157.78 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 108.255 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -55.88 160.77 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.621 1.201 . . . . 0.0 109.262 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.45 90.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -60.06 139.86 57.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.573 1.171 . . . . 0.0 110.341 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -103.13 170.76 7.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 107.988 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.527 ' CD1' HD13 ' A' ' 37' ' ' LEU . 95.6 m95 -120.85 151.76 39.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 107.99 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.592 ' HB2' HG13 ' A' ' 49' ' ' ILE . . . -155.8 175.05 14.44 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.838 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 31.8 mt -92.55 157.97 16.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mtt . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.481 0.181 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.03 139.73 1.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 p -167.23 167.06 14.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.048 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.675 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -67.74 -35.37 78.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.0 mm -63.82 -33.0 59.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.465 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.7 mt-30 -62.63 -53.4 55.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.04 HG23 HG21 ' A' ' 22' ' ' ILE . 5.2 p -67.38 -38.37 80.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.112 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.413 ' HE ' HD22 ' A' ' 4' ' ' LEU . 6.8 mtt180 -64.15 -38.25 90.37 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -75.31 -41.95 55.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.594 1.184 . . . . 0.0 109.247 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.633 HD11 HG21 ' A' ' 25' ' ' THR . 3.3 mm? -63.22 -51.48 66.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.599 1.187 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.76 HD11 HD21 ' A' ' 37' ' ' LEU . 9.1 mt -57.44 -24.45 55.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.471 ' N ' HD11 ' A' ' 77' ' ' LEU . . . -86.43 -59.24 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.244 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 13' ' ' LEU . 4.0 mm? -56.41 -59.92 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.54 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.5 OUTLIER -73.13 -11.45 60.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.88 -149.02 51.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 mtt-85 -61.12 126.01 25.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 0.786 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.444 ' CE ' ' HG3' ' A' ' 21' ' ' GLN . 9.8 tpt -173.76 151.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 0.7 OUTLIER -59.78 156.36 14.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.67 -38.4 83.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.29 -37.66 3.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' HG3' ' CE ' ' A' ' 17' ' ' MET . 0.1 OUTLIER -72.99 -52.52 14.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.04 HG21 HG23 ' A' ' 7' ' ' VAL . 4.4 mt -57.06 -47.36 83.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' THR . 95.9 p -56.18 -39.49 72.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.142 . . . . 0.0 109.977 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.14 -44.94 90.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.633 HG21 HD11 ' A' ' 10' ' ' LEU . 87.7 m -45.03 -47.26 11.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.624 HD11 HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -99.55 23.67 9.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.387 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' LEU . 5.6 t-20 39.1 30.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.451 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -83.91 162.88 51.0 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.404 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 137.89 22.18 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.471 1.774 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -46.83 -51.88 35.92 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.097 . . . . 0.0 110.339 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.6 Cg_endo -74.96 52.96 3.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.801 . . . . 0.0 111.088 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.77 -45.07 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.624 HD11 HD11 ' A' ' 26' ' ' LEU . 31.9 mm -78.24 -37.83 22.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.167 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -56.16 -39.81 72.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.71 -46.67 88.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.83 -47.73 79.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.148 . . . . 0.0 111.026 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.76 HD21 HD11 ' A' ' 11' ' ' LEU . 21.1 mt -55.37 -41.57 72.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -45.63 93.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.6 1.187 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -60.95 -50.13 74.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.675 HD11 ' CD2' ' A' ' 4' ' ' LEU . 64.7 mt -58.59 -42.21 87.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.96 -50.89 71.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.234 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -53.95 -46.44 71.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.982 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 mtt -64.37 -54.53 31.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.5 40.63 0.49 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -101.57 -64.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -91.18 173.6 7.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.471 HG11 ' HD2' ' A' ' 78' ' ' ARG . 20.2 m -136.11 157.42 37.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.514 ' HD2' ' CH2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -88.58 139.45 30.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.261 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 74' ' ' TRP . 49.7 mm -120.2 152.4 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.389 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.07 161.04 18.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.573 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 2.1 mt-10 -115.26 170.46 8.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.334 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.77 101.95 0.26 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.187 . . . . 0.0 110.258 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.475 1.776 . . . . 0.0 111.05 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.74 169.18 8.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -78.51 -170.16 36.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 49.1 t -98.85 134.0 42.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -102.49 179.73 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.95 152.76 9.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.976 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -137.64 152.37 21.62 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.567 1.167 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.4 t -104.73 115.25 30.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.976 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 67.48 103.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 108.267 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.4 mttp 56.49 178.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.6 p -176.58 165.27 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.75 154.51 44.78 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 108.237 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.46 1.769 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -129.14 -150.65 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.18 106.82 0.27 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.433 1.083 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.86 151.61 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.8 135.03 55.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.6 p -59.36 155.28 14.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 108.347 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -53.71 160.87 1.23 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.75 90.04 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 110.263 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -61.45 136.75 58.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.573 ' CZ2' ' CD ' ' A' ' 51' ' ' GLU . 18.5 m0 -95.6 170.06 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 108.07 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.67 ' CG ' HD13 ' A' ' 37' ' ' LEU . 96.2 m95 -124.13 149.52 46.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 108.067 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.26 168.54 26.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.471 HD11 ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -100.51 160.79 14.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.162 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.471 ' HD2' HG11 ' A' ' 47' ' ' VAL . 5.0 tpt180 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.28 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.502 0.191 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.44 173.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.499 ' O ' HG12 ' A' ' 7' ' ' VAL . 4.1 p -165.92 161.7 17.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.056 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.638 HD23 HD11 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -61.51 -36.96 82.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.1 mm -70.31 -27.35 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.774 ' NE2' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -75.82 -53.92 7.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.997 HG23 HG21 ' A' ' 22' ' ' ILE . 6.1 p -62.85 -34.71 67.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 8' ' ' ARG . 6.1 mtp-105 -66.7 -53.69 30.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -55.84 -47.13 77.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.541 HD12 ' HG2' ' A' ' 14' ' ' ARG . 1.4 mm? -61.92 -51.02 69.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.439 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 13.1 mt -56.4 -24.99 48.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.349 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.514 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.91 -59.65 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 mp -58.32 -60.21 4.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.544 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -75.01 -6.65 50.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.439 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 68.24 -150.71 51.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.413 1.071 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.49 139.27 58.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.778 . . . . 0.0 110.335 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 tpt -177.33 148.7 0.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.503 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 0.9 OUTLIER -63.92 147.93 50.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 110.345 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.643 ' HB2' ' CD1' ' A' ' 37' ' ' LEU . . . -59.11 -40.76 86.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.61 -36.89 2.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -51.31 11.23 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 110.251 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.997 HG21 HG23 ' A' ' 7' ' ' VAL . 5.6 mt -54.57 -51.04 54.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.571 1.169 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.432 ' HB2' HG22 ' A' ' 28' ' ' THR . 28.8 p -50.18 -42.31 51.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.394 1.058 . . . . 0.0 110.029 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.36 -45.55 87.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.226 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 49.2 m -60.66 -43.76 97.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.473 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.774 HD22 ' NE2' ' A' ' 6' ' ' GLN . 9.3 mt -83.17 6.81 18.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 48.63 51.35 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.462 ' CG2' HG12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -124.84 164.22 32.49 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.4 Cg_endo -74.95 133.64 16.91 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 111.041 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.3 OUTLIER -41.59 -51.52 8.95 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.351 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -75.01 53.91 3.49 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.782 . . . . 0.0 111.008 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.64 -46.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.462 HG12 ' CG2' ' A' ' 28' ' ' THR . 49.5 mm -75.23 -36.2 36.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -52.48 -38.07 58.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.73 -47.0 80.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.416 ' SD ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -62.31 -52.36 63.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.643 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 13.6 mt -53.7 -41.03 66.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -42.0 97.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.133 . . . . 0.0 110.248 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -66.57 -50.79 61.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.638 HD11 HD23 ' A' ' 4' ' ' LEU . 85.0 mt -56.99 -46.13 82.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -50.66 71.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.248 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.8 t -54.37 -45.79 72.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 110.015 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 mtp -69.96 -45.92 66.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.7 46.78 1.17 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.2 -43.9 5.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.88 172.0 7.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.0 m -127.4 158.1 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.22 139.12 30.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.573 1.17 . . . . 0.0 110.272 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.595 HG13 ' HB2' ' A' ' 76' ' ' ALA . 5.0 mm -118.82 147.24 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -110.97 150.68 28.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.263 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.76 171.04 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.18 . . . . 0.0 110.321 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -43.87 138.62 3.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 52' ' ' GLU . 18.5 Cg_endo -74.93 -162.38 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.52 1.8 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.0 t70 178.37 139.94 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 153.44 160.68 9.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.57 1.169 . . . . 0.0 111.031 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 20.1 t -160.69 134.5 6.95 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.14 133.26 44.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.9 m -153.53 145.46 23.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -114.4 66.16 0.28 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.579 1.174 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 m -122.72 169.35 11.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 0.0 110.028 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 32.0 p -162.45 163.66 27.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 108.292 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.95 155.35 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.55 126.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.967 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 30.6 p -172.02 147.49 1.91 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 108.311 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.799 . . . . 0.0 111.036 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -135.02 107.06 7.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.21 153.4 6.09 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.45 1.094 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -169.47 158.62 8.02 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.535 0.785 . . . . 0.0 109.398 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 68' ' ' LYS . . . 179.15 156.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 99.2 m -80.66 149.84 29.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 108.276 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.73 161.82 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.83 91.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -59.98 135.53 57.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.503 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 28.2 m0 -100.26 172.13 7.36 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.471 ' HB3' HD22 ' A' ' 37' ' ' LEU . 96.7 m95 -124.97 147.72 48.77 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.595 ' HB2' HG13 ' A' ' 49' ' ' ILE . . . -153.59 178.54 9.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.514 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 6.8 mt -97.91 158.5 15.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.365 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.513 0.197 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.54 144.22 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 p 170.7 162.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 110.008 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.731 ' CD2' HD11 ' A' ' 40' ' ' LEU . 4.5 mt -56.47 -37.98 71.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.461 ' N ' HD13 ' A' ' 5' ' ' ILE . 5.2 mm -56.8 -41.56 75.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.579 ' NE2' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -58.72 -53.31 59.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.289 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.81 HG22 ' CG2' ' A' ' 22' ' ' ILE . 76.6 t -66.25 -48.25 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -52.37 -40.06 61.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -75.1 -47.13 30.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.601 1.188 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.806 ' HG ' HG21 ' A' ' 25' ' ' THR . 1.4 mm? -57.68 -50.95 71.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.658 HD21 HD11 ' A' ' 22' ' ' ILE . 10.3 mt -55.0 -25.97 33.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.478 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.26 -59.12 2.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 13' ' ' LEU . 4.0 mm? -56.57 -59.81 4.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.445 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 4.8 mpt_? -73.99 -12.2 60.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.26 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.434 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 71.49 -142.72 34.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.96 122.07 24.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 0.775 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.7 mmt -153.51 175.13 13.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.527 ' HB3' ' CD1' ' A' ' 74' ' ' TRP . 4.0 pm0 -83.27 161.23 21.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.484 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -67.88 -40.43 83.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.55 -38.43 6.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.363 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -50.17 19.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.81 ' CG2' HG22 ' A' ' 7' ' ' VAL . 17.0 mt -53.04 -51.43 38.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.419 ' HB2' HG22 ' A' ' 28' ' ' THR . 51.9 p -55.3 -42.01 73.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.01 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -58.95 -44.97 91.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.806 HG21 ' HG ' ' A' ' 10' ' ' LEU . 48.0 m -44.87 -47.69 11.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.465 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.663 HD23 ' HB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -106.01 25.43 10.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LEU . 1.2 t30 37.12 34.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -85.4 162.78 47.35 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.44 20.3 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.58 1.832 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -43.17 -52.59 12.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -74.99 53.56 3.37 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.394 1.734 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -143.06 -44.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.77 HD12 HG21 ' A' ' 7' ' ' VAL . 21.7 mm -77.88 -35.4 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.363 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -57.02 -38.57 73.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.98 98.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.458 ' SD ' HD13 ' A' ' 33' ' ' ILE . 4.2 mtp -73.46 -41.47 63.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.692 ' CD1' HG22 ' A' ' 33' ' ' ILE . 22.5 mt -61.07 -33.65 73.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.215 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.61 -45.14 69.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.113 . . . . 0.0 110.248 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -61.38 -46.82 88.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 0.0 110.266 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.731 HD11 ' CD2' ' A' ' 4' ' ' LEU . 5.5 mt -59.07 -43.96 91.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -57.39 -51.73 68.25 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.148 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -54.05 -50.12 67.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.979 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 mtt -62.64 -52.83 61.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.45 45.0 0.53 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -100.62 -66.25 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 109.348 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.91 175.69 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.6 m -135.3 155.79 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.18 134.08 33.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 49' ' ' ILE . 24.2 mm -110.65 151.21 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -114.59 152.36 31.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.452 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 2.0 mt-10 -106.65 170.54 7.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.359 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.72 115.07 1.92 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 110.227 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 -162.5 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.794 . . . . 0.0 110.982 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -107.16 161.33 14.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -166.59 115.92 0.66 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.1 m -145.9 151.01 37.16 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.18 126.25 27.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.73 171.98 12.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.53 151.17 7.75 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.7 m 40.94 80.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.941 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -158.89 151.51 21.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 108.276 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.51 -64.92 1.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.7 t 179.91 100.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.978 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 14.6 p -120.83 147.2 45.5 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 108.284 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.792 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.07 -149.48 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 122.84 59.68 0.2 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -134.05 177.03 8.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 0.728 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.63 138.87 51.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 92.1 m -84.7 149.4 25.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 108.326 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -55.86 161.11 2.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.54 89.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -61.57 133.51 55.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.527 ' CD1' ' HB3' ' A' ' 18' ' ' GLU . 19.6 m0 -98.51 170.96 8.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 108.016 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -124.6 146.86 48.83 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.96 175.53 13.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 17.3 mt -92.9 156.29 17.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.5 tpt85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.322 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.4 mtp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.479 0.181 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -46.2 170.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.23 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.519 ' HB2' HD12 ' A' ' 5' ' ' ILE . 2.7 p -177.88 164.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.05 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 8' ' ' ARG . 0.8 OUTLIER -72.83 -37.36 67.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.234 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.581 ' H ' HD12 ' A' ' 5' ' ' ILE . 2.3 mp -57.51 -30.55 36.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.613 ' O ' HD23 ' A' ' 10' ' ' LEU . 2.4 mt-30 -63.55 -53.56 49.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.069 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.047 HG23 HG21 ' A' ' 22' ' ' ILE . 6.1 p -68.12 -38.06 79.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.476 ' O ' HD11 ' A' ' 77' ' ' LEU . 18.6 mtt85 -61.41 -39.73 91.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -75.03 -48.02 26.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 6' ' ' GLN . 4.1 mm? -57.32 -46.0 83.68 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.67 HD22 ' HA ' ' A' ' 76' ' ' ALA . 8.2 mt -54.38 -31.32 54.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.564 1.165 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.674 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.55 -56.27 3.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.3 mt -53.69 -59.63 4.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 10' ' ' LEU . 11.2 mmm180 -82.46 2.98 30.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.257 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.471 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 57.9 -147.46 37.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.09 122.05 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.743 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 23.6 mmt -154.31 175.36 13.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 111.04 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.554 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 7.2 tp10 -86.43 153.63 21.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 18' ' ' GLU . . . -63.45 -47.41 81.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.75 -38.06 3.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -71.74 -51.77 21.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.047 HG21 HG23 ' A' ' 7' ' ' VAL . 11.7 mt -58.93 -43.37 88.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 28' ' ' THR . 80.0 p -57.95 -40.96 81.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -44.9 88.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.325 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.468 HG21 ' HG ' ' A' ' 10' ' ' LEU . 6.3 m -45.99 -45.52 15.82 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.501 1.126 . . . . 0.0 110.483 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.555 HD11 HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -100.38 23.19 10.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 26' ' ' LEU . 1.8 m-20 39.66 29.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -85.04 162.54 49.11 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.408 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 137.83 22.43 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.393 1.733 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.517 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -48.94 -50.49 61.91 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.328 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.5 Cg_endo -74.95 52.4 3.03 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 111.056 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.0 tpt -145.33 -44.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.555 HD11 HD11 ' A' ' 26' ' ' LEU . 22.9 mm -79.27 -35.55 17.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -59.13 -43.5 91.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.72 -46.83 86.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -49.68 75.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.562 HD13 ' CD1' ' A' ' 75' ' ' TRP . 20.3 mt -54.09 -43.85 70.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.235 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -45.5 87.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.499 1.125 . . . . 0.0 110.245 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -60.67 -48.69 80.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.445 HD11 ' CD2' ' A' ' 4' ' ' LEU . 46.3 mt -57.81 -45.35 86.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.596 1.185 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -54.22 -50.16 67.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.8 t -54.05 -48.67 70.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.01 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.1 mtm -64.84 -49.51 70.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.105 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 113.35 48.61 0.59 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -100.95 -69.16 0.78 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 0.739 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.99 178.51 6.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.6 m -135.64 157.1 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.532 ' HG2' ' CZ3' ' A' ' 75' ' ' TRP . 0.1 OUTLIER -86.99 139.41 30.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 74' ' ' TRP . 3.7 mm -117.51 151.78 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -113.38 151.55 31.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.403 1.065 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -100.38 172.18 7.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -39.61 110.45 0.63 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 110.245 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -162.23 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.779 . . . . 0.0 110.984 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.45 21.54 2.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.601 1.188 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.81 -100.3 0.49 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.511 1.132 . . . . 0.0 111.083 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 74.98 152.62 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -95.22 154.52 17.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.3 136.13 27.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.92 -109.51 0.43 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.125 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.04 86.01 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 110.018 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.86 -62.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 108.261 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.86 165.05 9.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.58 168.66 12.85 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.549 1.156 . . . . 0.0 110.014 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.5 m -60.0 149.86 72.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.284 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.501 1.79 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -128.67 -150.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -154.81 -63.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.566 1.166 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.54 135.52 11.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 61.21 91.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.4 p -93.49 160.65 14.7 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 108.368 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -54.32 160.91 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.22 83.51 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.203 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.86 135.93 37.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.174 . . . . 0.0 110.282 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.554 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 19.4 m0 -100.92 172.02 7.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.999 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.562 ' CD1' HD13 ' A' ' 37' ' ' LEU . 95.4 m95 -125.78 147.92 49.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 108.014 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.67 ' HA ' HD22 ' A' ' 11' ' ' LEU . . . -155.98 166.73 32.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.674 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 33.7 mt -82.57 156.42 23.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.3 tpt85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.542 0.211 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.928 ' CB ' HD13 ' A' ' 26' ' ' LEU . . . -56.84 -167.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 p -146.65 165.39 29.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.015 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.595 HD22 ' SD ' ' A' ' 36' ' ' MET . 0.1 OUTLIER -62.86 -34.51 77.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.2 mm -60.8 -35.12 62.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.36 -54.71 36.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.04 HG23 HG21 ' A' ' 22' ' ' ILE . 7.3 p -65.42 -36.93 78.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -67.92 -48.39 66.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.64 ' OD1' HD22 ' A' ' 13' ' ' LEU . 17.7 t0 -59.12 -50.38 74.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.561 HD12 ' HG2' ' A' ' 14' ' ' ARG . 1.4 mm? -58.95 -51.05 71.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.594 HD11 HD21 ' A' ' 37' ' ' LEU . 11.8 mt -55.77 -25.36 40.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.638 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.92 -59.68 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.64 HD22 ' OD1' ' A' ' 9' ' ' ASP . 7.1 mp -57.73 -60.27 3.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.561 ' HG2' HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -74.38 -7.75 53.94 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 67.28 -141.68 39.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.03 137.48 53.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 110.319 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 45.1 tpp -176.04 160.39 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.457 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 2.1 tm-20 -77.05 165.09 25.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.411 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -68.18 -37.5 81.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.64 -37.86 2.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.25 -52.17 9.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.04 HG21 HG23 ' A' ' 7' ' ' VAL . 8.6 mt -54.22 -50.9 52.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.429 ' HB2' HG22 ' A' ' 28' ' ' THR . 59.5 p -55.27 -41.56 72.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -45.42 90.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.259 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.527 ' HB ' HD23 ' A' ' 26' ' ' LEU . 44.7 m -50.02 -45.42 51.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 110.424 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.928 HD13 ' CB ' ' A' ' 2' ' ' ALA . 0.1 OUTLIER -103.32 20.81 17.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' LEU . 2.1 t30 38.84 32.23 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.434 ' N ' ' C ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -83.49 163.19 50.84 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.361 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 137.67 22.07 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 111.038 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -45.34 -52.22 22.75 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -75.05 52.7 3.14 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.575 1.829 . . . . 0.0 111.059 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.8 tpt -142.77 -47.97 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.041 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.697 HD11 HD11 ' A' ' 26' ' ' LEU . 44.8 mm -74.41 -37.56 44.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -53.15 -41.61 65.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.356 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.15 -47.12 86.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.595 ' SD ' HD22 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -62.98 -49.97 72.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.594 HD21 HD11 ' A' ' 11' ' ' LEU . 20.0 mt -54.38 -40.37 68.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -42.49 96.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -60.73 -50.55 73.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.361 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.56 HD11 HD11 ' A' ' 4' ' ' LEU . 4.0 mt -60.01 -39.03 84.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -63.52 -50.76 68.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.235 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 t -53.81 -45.84 70.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.005 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.3 mtp -70.9 -47.55 58.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.963 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 109.46 47.09 0.88 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.51 1.131 . . . . 0.0 111.058 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -102.07 -43.35 5.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.589 0.817 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.37 176.74 5.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.4 m -133.37 153.23 36.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -83.48 139.05 33.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.532 HG13 ' HB2' ' A' ' 76' ' ' ALA . 3.6 mm -119.52 151.33 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -115.11 152.83 31.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.3 171.69 8.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -46.34 151.41 0.98 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.41 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.554 1.818 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -174.61 169.23 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 109.242 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 159.25 148.67 5.28 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.05 -55.21 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -91.89 174.48 7.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.6 m -152.73 -59.75 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.027 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.81 161.91 35.33 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.543 1.152 . . . . 0.0 111.052 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.4 m -62.04 130.91 47.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 0.797 . . . . 0.0 110.005 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -171.87 124.84 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 108.35 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp 63.45 165.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.3 m -51.83 151.72 3.33 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.619 1.199 . . . . 0.0 109.986 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.45 117.31 36.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 108.28 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -162.23 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.791 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -124.14 106.46 10.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.23 93.69 1.22 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -95.91 169.88 9.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 68' ' ' LYS . . . 67.35 142.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.3 p -90.91 155.74 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 108.344 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.52 162.32 0.57 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 89.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -73.56 134.52 43.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.457 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 17.5 m0 -99.77 172.02 7.52 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -123.71 148.82 46.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.532 ' HB2' HG13 ' A' ' 49' ' ' ILE . . . -152.74 174.09 14.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.638 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 16.0 mt -90.05 158.76 17.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 mtt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.503 0.192 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.23 -178.2 4.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.222 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 p 172.36 162.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 109.96 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -59.38 -37.98 79.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.436 ' N ' HD13 ' A' ' 5' ' ' ILE . 5.8 mm -53.82 -41.44 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.713 ' NE2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -58.29 -49.9 75.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.895 HG13 HG21 ' A' ' 22' ' ' ILE . 78.0 t -68.92 -46.06 79.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.0 mtm180 -58.17 -51.15 70.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -56.56 -51.28 69.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.386 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.558 HD12 ' HG2' ' A' ' 14' ' ' ARG . 1.3 mm? -60.04 -51.44 69.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.597 ' CD2' HD11 ' A' ' 22' ' ' ILE . 9.8 mt -55.24 -25.02 30.79 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.372 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.699 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -87.12 -59.25 2.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.373 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.19 -60.4 3.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.233 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.558 ' HG2' HD12 ' A' ' 10' ' ' LEU . 4.5 mpt_? -72.66 -8.75 56.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.42 -139.47 45.68 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.569 1.168 . . . . 0.0 111.053 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.448 ' HA ' ' HB2' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -67.08 121.39 15.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.757 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -161.18 147.7 14.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.599 ' O ' HD12 ' A' ' 22' ' ' ILE . 4.0 tp10 -63.38 153.73 34.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.605 1.191 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 18' ' ' GLU . . . -63.73 -42.92 97.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.98 -39.32 4.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -51.39 12.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.895 HG21 HG13 ' A' ' 7' ' ' VAL . 3.3 mt -55.06 -53.72 31.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 p -54.17 -44.64 71.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -44.99 73.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.524 ' HB ' HD23 ' A' ' 26' ' ' LEU . 71.8 m -44.73 -37.37 3.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.713 HD22 ' NE2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -113.79 35.19 4.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 26' ' ' LEU . 13.1 t-20 39.71 30.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.609 HG23 ' HD2' ' A' ' 29' ' ' PRO . 22.5 m -83.16 145.38 48.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.609 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.04 136.33 20.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.472 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -39.71 -53.11 4.67 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 17.9 Cg_endo -75.0 53.76 3.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.541 1.811 . . . . 0.0 110.945 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.98 -44.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.607 HD12 HG21 ' A' ' 7' ' ' VAL . 43.7 mm -76.52 -33.16 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -56.01 -40.39 73.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.365 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.58 -47.22 86.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 1.161 . . . . 0.0 109.243 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.61 -43.19 94.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.571 ' HA ' HD12 ' A' ' 40' ' ' LEU . 25.4 mt -59.24 -45.64 90.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -43.13 68.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -56.52 -49.13 75.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 37' ' ' LEU . 5.4 mt -60.39 -41.91 94.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.3 -50.12 74.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -47.11 71.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.2 mtp -70.21 -45.34 66.77 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.501 1.126 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.26 47.46 0.93 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.48 1.113 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -102.45 -56.63 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.374 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.579 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -94.19 173.89 7.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.9 m -135.73 157.21 38.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.463 ' HG2' ' CZ3' ' A' ' 75' ' ' TRP . 0.6 OUTLIER -84.38 139.18 32.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' TRP . 33.8 mm -117.28 152.08 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -116.26 151.97 34.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.57 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 1.6 mt-10 -107.53 170.04 8.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.53 116.6 1.11 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 110.361 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.531 1.806 . . . . 0.0 111.061 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -115.74 148.52 39.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.344 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -140.21 148.75 20.34 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.467 1.105 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 178.22 159.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.44 118.58 23.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.6 m -96.52 142.88 28.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 157.24 63.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.76 124.46 49.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 109.991 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.8 m -56.21 -62.86 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 108.375 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -136.51 115.96 12.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.32 140.93 4.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.4 p -61.91 149.35 85.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 108.347 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.565 1.824 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.49 -149.89 0.43 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.447 1.092 . . . . 0.0 110.233 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 177.0 -91.75 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.095 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt 52.9 175.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 109.229 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.65 168.89 11.44 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.2 p -73.4 156.15 38.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 108.282 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.18 161.05 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.1 90.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.372 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -63.33 133.51 54.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.57 ' CZ2' ' CD ' ' A' ' 51' ' ' GLU . 21.7 m0 -97.94 171.51 8.23 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.463 ' CZ3' ' HG2' ' A' ' 48' ' ' ARG . 95.5 m95 -124.53 147.31 48.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.579 ' O ' ' HB1' ' A' ' 46' ' ' ALA . . . -156.17 178.31 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.699 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 10.5 mt -92.14 167.4 12.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.361 179.921 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.439 0.161 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.08 141.27 8.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.226 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.0 p -170.89 163.78 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.985 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.765 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -57.55 -37.33 72.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.452 ' N ' HD13 ' A' ' 5' ' ' ILE . 5.5 mm -55.04 -42.57 65.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.168 . . . . 0.0 109.246 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.636 ' NE2' HD22 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -58.4 -53.15 61.6 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.05 HG22 ' CG2' ' A' ' 22' ' ' ILE . 17.7 t -65.73 -47.16 86.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -55.07 -40.57 70.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.07 -46.5 34.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.794 ' HG ' HG21 ' A' ' 25' ' ' THR . 2.2 mm? -56.75 -51.07 70.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.498 ' CB ' HD21 ' A' ' 77' ' ' LEU . 9.0 mt -56.05 -24.97 42.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.475 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.67 -59.14 2.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 mp -56.96 -59.74 4.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.229 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.483 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 5.1 mpt_? -73.66 -10.01 59.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.9 -148.19 51.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 117.94 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 110.229 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.7 mmt -154.17 162.5 41.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.661 ' OE2' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -68.3 156.19 38.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.31 -46.01 78.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.661 ' HB3' ' OE2' ' A' ' 18' ' ' GLU . . . -43.61 -37.2 2.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.447 ' N ' ' OE1' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -70.2 -49.47 49.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.05 ' CG2' HG22 ' A' ' 7' ' ' VAL . 5.1 mt -59.3 -47.68 89.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.435 ' HB2' HG22 ' A' ' 28' ' ' THR . 84.2 p -55.05 -42.08 72.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.045 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -61.99 -46.57 88.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.24 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.794 HG21 ' HG ' ' A' ' 10' ' ' LEU . 2.0 m -47.37 -33.05 5.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.404 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.636 HD22 ' NE2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -115.75 24.03 11.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 26' ' ' LEU . 3.3 t30 36.91 34.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -89.01 162.29 38.35 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.428 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 139.72 24.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -48.04 -52.04 43.64 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.1 Cg_endo -74.98 53.23 3.27 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.04 -49.15 0.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.648 HD12 HG21 ' A' ' 7' ' ' VAL . 45.7 mm -72.3 -35.28 51.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -56.49 -41.11 76.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.229 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.04 -46.61 87.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -45.52 87.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 111.056 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 75' ' ' TRP . 24.8 mt -55.19 -40.35 70.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -46.75 87.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -60.0 -48.96 79.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.765 HD11 ' CD2' ' A' ' 4' ' ' LEU . 66.8 mt -60.61 -41.71 95.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.21 -50.34 73.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t -53.97 -49.99 67.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.461 1.1 . . . . 0.0 109.974 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.3 mtt -63.01 -45.39 92.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 110.73 46.62 0.83 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.14 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -102.94 -64.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.55 178.25 6.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 109.32 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.636 HG11 ' HD2' ' A' ' 78' ' ' ARG . 34.2 m -139.38 156.25 26.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.403 ' HG2' ' CZ3' ' A' ' 75' ' ' TRP . 0.4 OUTLIER -85.99 139.19 31.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 49' ' ' ILE . 34.1 mm -117.29 151.02 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -114.1 150.75 33.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' PRO . 0.4 OUTLIER -100.28 171.67 7.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.229 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -38.6 99.07 0.18 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.392 1.057 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' GLU . 18.3 Cg_endo -74.97 -162.44 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.558 1.82 . . . . 0.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -142.15 155.45 45.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -149.4 -109.33 0.5 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.564 1.165 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 85.0 m 61.39 159.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -92.1 -62.75 1.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.362 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.9 t 70.87 -62.51 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.04 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 56.28 94.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.098 . . . . 0.0 110.96 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 61' ' ' CYS . 1.2 m -148.25 100.46 3.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 60' ' ' SER . 16.0 p 41.17 43.84 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.33 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 76.44 139.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 m -102.16 118.83 37.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.022 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.22 116.08 0.28 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 108.344 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.468 1.773 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -123.08 75.88 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 45.6 95.6 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.548 1.155 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.1 146.85 45.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.362 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.46 122.53 14.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.9 p -49.35 159.09 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 108.313 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.44 162.49 2.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.54 90.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -64.2 138.12 58.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.567 ' CD1' ' HB3' ' A' ' 18' ' ' GLU . 14.6 m0 -102.71 170.95 7.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.008 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.526 ' CD1' HD13 ' A' ' 37' ' ' LEU . 94.3 m95 -123.42 147.09 47.47 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.482 ' HA ' HD22 ' A' ' 11' ' ' LEU . . . -156.02 177.24 11.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.498 HD21 ' CB ' ' A' ' 11' ' ' LEU . 10.5 mt -99.19 159.12 15.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.636 ' HD2' HG11 ' A' ' 47' ' ' VAL . 7.3 tpt180 . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.437 0.16 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.95 156.57 34.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 p 178.43 165.05 0.78 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.531 1.144 . . . . 0.0 109.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.646 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -57.34 -37.65 72.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.507 ' N ' HD13 ' A' ' 5' ' ' ILE . 4.5 mm -52.39 -42.27 37.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 109.351 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.492 ' NE2' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -58.23 -52.92 63.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.081 HG22 ' CG2' ' A' ' 22' ' ' ILE . 14.9 t -66.16 -46.97 86.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -47.24 79.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -61.99 -51.04 69.65 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.662 ' HG ' HG21 ' A' ' 25' ' ' THR . 3.3 mm? -59.18 -49.08 79.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.481 HD22 ' HA ' ' A' ' 76' ' ' ALA . 6.4 mt -50.85 -28.82 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.815 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.13 -58.64 2.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.1 mt -52.93 -60.17 3.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -76.55 -9.21 58.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.449 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 66.96 -146.22 47.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.653 ' CB ' ' HB2' ' A' ' 76' ' ' ALA . 0.1 OUTLIER -70.58 120.67 16.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 0.742 . . . . 0.0 110.252 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 16' ' ' ARG . 26.2 mmt -155.45 175.49 13.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.521 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 5.0 tp10 -81.53 146.41 30.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.571 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -60.47 -42.71 96.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.383 1.052 . . . . 0.0 109.301 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.94 -37.99 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -74.91 -49.07 21.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.081 ' CG2' HG22 ' A' ' 7' ' ' VAL . 7.0 mt -55.79 -46.03 79.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 p -57.63 -48.31 79.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.77 -44.88 74.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.286 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.662 HG21 ' HG ' ' A' ' 10' ' ' LEU . 81.6 m -48.01 -33.29 7.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.405 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.492 HD22 ' NE2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -116.22 33.46 5.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' LEU . 44.3 t-20 39.16 30.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.713 HG23 ' HD2' ' A' ' 29' ' ' PRO . 5.8 m -87.2 146.45 40.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.713 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.0 135.1 18.63 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.389 1.731 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.476 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -38.78 -52.94 3.55 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.241 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.05 53.06 3.24 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.458 ' HB3' ' CG2' ' A' ' 28' ' ' THR . 0.3 OUTLIER -146.86 -44.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 111.017 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.492 HD12 HG21 ' A' ' 7' ' ' VAL . 32.3 mm -75.42 -35.59 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -53.54 -39.55 64.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.93 -46.27 82.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.563 1.164 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -48.31 73.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.416 1.072 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 21.5 mt -56.61 -38.03 71.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -33.8 76.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -45.17 40.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.646 HD11 ' CD2' ' A' ' 4' ' ' LEU . 49.8 mt -61.18 -38.94 88.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.79 -51.31 70.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.333 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.26 -46.95 72.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mtt -63.1 -51.14 67.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.41 47.32 1.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -102.05 -56.54 2.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -93.75 170.84 9.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.3 m -124.73 155.83 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -91.15 136.99 32.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 74' ' ' TRP . 42.6 mm -118.91 152.21 21.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -120.76 149.81 41.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.24 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 52' ' ' GLU . 1.6 mt-10 -102.12 171.92 7.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 51' ' ' GLU . 5.2 mt-10 -38.51 101.18 0.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -162.45 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.521 1.8 . . . . 0.0 111.076 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.01 161.02 20.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.73 119.46 0.53 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.107 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.73 165.48 16.03 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.54 121.44 41.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 t 62.34 121.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.515 1.134 . . . . 0.0 109.913 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.66 139.74 3.7 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.7 t -119.14 128.83 54.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 0.738 . . . . 0.0 109.966 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.3 t -72.69 -67.7 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 108.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.7 -62.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.82 -58.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 32.0 p -131.97 156.68 79.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 108.326 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 110.987 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.9 pm0 -119.5 -149.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -101.6 -106.19 2.92 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt 63.96 149.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 0.723 . . . . 0.0 109.281 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -41.23 140.21 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.2 p -90.21 159.04 16.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 108.248 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.63 161.56 3.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 87.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.07 136.65 56.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.521 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 18.6 m0 -100.58 169.82 8.79 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.447 ' CD1' HD13 ' A' ' 37' ' ' LEU . 93.2 m95 -133.74 148.02 51.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 107.995 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.653 ' HB2' ' CB ' ' A' ' 16' ' ' ARG . . . -155.54 172.57 18.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.815 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 9.5 mt -86.73 156.05 20.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.427 0.156 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.28 131.72 1.55 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.442 1.089 . . . . 0.0 109.4 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 p -176.34 162.73 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.958 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -56.78 -42.17 78.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.086 . . . . 0.0 109.224 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.7 mm -56.85 -41.42 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.568 ' NE2' HD22 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -58.29 -53.23 60.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.119 HG13 HG21 ' A' ' 22' ' ' ILE . 24.4 t -66.9 -47.15 83.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.686 ' O ' HD11 ' A' ' 77' ' ' LEU . 9.5 mtm180 -55.5 -49.51 72.37 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -56.42 -51.28 68.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.341 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.908 ' HG ' HG21 ' A' ' 25' ' ' THR . 2.5 mm? -61.23 -51.09 70.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.596 HD22 ' HA ' ' A' ' 76' ' ' ALA . 5.5 mt -51.62 -29.74 18.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.064 . . . . 0.0 109.232 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.748 ' HB2' HD12 ' A' ' 77' ' ' LEU . . . -86.43 -57.73 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.4 mt -53.36 -60.37 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.542 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -76.72 -8.54 57.48 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.553 1.158 . . . . 0.0 110.277 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 65.36 -154.85 50.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.433 1.083 . . . . 0.0 110.997 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.685 ' HB3' ' HB2' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -63.0 117.56 6.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 110.325 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 30.6 mmm -150.94 175.41 12.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 111.003 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 19' ' ' ALA . 13.8 tp10 -72.2 140.17 48.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.95 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -56.38 -49.36 74.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.97 -39.92 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -43.08 87.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.119 HG21 HG13 ' A' ' 7' ' ' VAL . 7.0 mt -61.45 -51.76 69.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.6 p -55.75 -45.46 78.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.35 -44.85 72.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.908 HG21 ' HG ' ' A' ' 10' ' ' LEU . 68.3 m -44.25 -37.17 3.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.382 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.568 HD22 ' NE2' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -115.1 36.38 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.1 t30 39.29 31.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.746 HG23 ' HD2' ' A' ' 29' ' ' PRO . 3.4 m -84.45 146.81 48.21 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.586 1.179 . . . . 0.0 110.326 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.746 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.6 Cg_endo -74.9 134.09 17.56 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.476 1.777 . . . . 0.0 111.032 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.474 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.9 OUTLIER -38.13 -52.84 3.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.0 53.21 3.27 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.446 1.761 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.466 ' HB3' ' CG2' ' A' ' 28' ' ' THR . 4.6 tpt -146.6 -44.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.562 HG22 ' CD1' ' A' ' 37' ' ' LEU . 25.0 mm -75.72 -34.54 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -53.12 -34.86 58.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.143 . . . . 0.0 109.25 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.33 -47.26 74.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.273 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.434 ' SD ' HD22 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -62.43 -50.74 70.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 110.98 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.562 ' CD1' HG22 ' A' ' 33' ' ' ILE . 8.4 mt -53.94 -41.77 68.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -34.21 68.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.338 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -69.91 -46.44 65.38 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 110.344 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.426 HD11 ' CD1' ' A' ' 4' ' ' LEU . 19.5 mt -59.43 -43.39 93.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -50.14 68.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -53.92 -45.55 71.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -69.58 -46.46 66.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.43 45.93 1.38 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -102.32 -53.49 2.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.384 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -96.42 170.46 9.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.4 m -133.79 157.68 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.408 ' HD3' ' CH2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -91.32 138.46 31.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.605 HD11 ' HB3' ' A' ' 76' ' ' ALA . 4.3 mp -120.75 147.29 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -109.6 152.24 25.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.54 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 0.5 OUTLIER -113.49 168.86 9.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.04 115.7 0.95 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.519 1.799 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.63 166.3 11.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -111.15 80.78 0.28 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 28.4 p -127.33 -175.14 3.36 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.8 ' C ' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -162.07 149.71 14.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.087 . . . . 0.0 109.376 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.22 -56.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.026 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 58.13 115.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.101 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.66 171.46 5.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 110.008 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.28 163.44 34.46 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.515 1.134 . . . . 0.0 108.265 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 70.14 -70.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 76.1 p -45.47 128.2 7.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -171.1 100.0 0.41 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 108.26 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.54 1.81 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -121.59 105.88 10.86 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.95 69.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.088 . . . . 0.0 110.958 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -87.98 176.39 7.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -172.68 103.6 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 11.6 m -93.89 162.29 13.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 108.274 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.56 161.54 2.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.48 86.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -63.24 131.89 49.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.54 ' CZ2' ' CD ' ' A' ' 51' ' ' GLU . 44.5 m0 -89.41 165.15 14.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 107.984 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.414 ' CD1' HD13 ' A' ' 37' ' ' LEU . 96.3 m95 -121.55 150.87 41.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 107.988 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.685 ' HB2' ' HB3' ' A' ' 16' ' ' ARG . . . -153.92 174.57 14.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.748 HD12 ' HB2' ' A' ' 12' ' ' ALA . 21.9 mt -98.79 155.4 17.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.528 0.204 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 3' ' ' SER . . . -56.13 -169.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.654 ' HB2' HD12 ' A' ' 5' ' ' ILE . 3.6 p 161.76 165.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.994 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.707 ' CD1' HD11 ' A' ' 40' ' ' LEU . 2.1 mm? -66.96 -41.58 86.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.654 HD12 ' HB2' ' A' ' 3' ' ' SER . 2.1 mp -49.31 -39.41 13.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.537 1.148 . . . . 0.0 109.241 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.648 ' NE2' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -58.58 -46.49 86.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.267 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.975 HG13 HG21 ' A' ' 22' ' ' ILE . 49.8 t -73.38 -47.86 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.728 ' O ' HD11 ' A' ' 77' ' ' LEU . 19.8 mtp180 -53.65 -41.29 66.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.333 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.16 -50.6 46.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.895 ' HG ' HG21 ' A' ' 25' ' ' THR . 1.5 mm? -58.06 -50.99 71.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.473 HD21 HD11 ' A' ' 22' ' ' ILE . 9.1 mt -55.35 -25.72 36.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.658 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.4 -59.04 2.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -57.15 -59.82 4.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.576 ' HD3' HD13 ' A' ' 10' ' ' LEU . 4.8 mpt_? -73.55 -11.15 60.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 68.27 -146.46 45.98 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -67.91 120.6 14.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 0.735 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.2 mmt -154.29 175.29 13.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.28 163.04 15.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.32 84.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.87 -38.64 7.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -51.96 10.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.975 HG21 HG13 ' A' ' 7' ' ' VAL . 32.2 mt -53.08 -47.15 55.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.413 ' HB2' HG22 ' A' ' 28' ' ' THR . 83.2 p -55.31 -46.2 76.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 110.052 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -57.4 -45.63 84.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.895 HG21 ' HG ' ' A' ' 10' ' ' LEU . 58.3 m -45.76 -40.02 8.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.648 HD22 ' NE2' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -110.92 24.84 12.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.237 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER 37.69 33.2 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -86.68 162.51 44.62 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 110.441 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.76 19.48 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.4 OUTLIER -44.78 -51.66 21.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.259 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.6 Cg_endo -74.88 53.2 3.21 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.525 1.802 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.5 tpp -143.8 -49.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 110.999 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.657 HG22 ' CD1' ' A' ' 37' ' ' LEU . 22.4 mm -71.39 -32.68 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -57.28 -37.98 73.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.15 -46.18 71.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -50.65 69.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.068 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.657 ' CD1' HG22 ' A' ' 33' ' ' ILE . 19.6 mt -53.89 -40.57 66.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -42.92 92.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.246 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -58.51 -52.55 65.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.707 HD11 ' CD1' ' A' ' 4' ' ' LEU . 26.8 mt -52.51 -44.84 65.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.16 -53.61 51.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 t -53.91 -45.73 71.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.054 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.8 mtt -66.73 -47.76 71.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.85 43.77 1.5 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.131 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -101.08 -54.62 2.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.23 173.67 7.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.6 m -133.47 157.53 42.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.07 139.19 31.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' TRP . 29.6 mm -117.01 150.41 19.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.39 161.47 15.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.33 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.15 172.04 7.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 110.334 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -44.74 103.25 0.33 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.57 1.826 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.6 t70 60.34 153.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 173.82 109.45 0.23 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.7 164.17 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -75.48 160.79 29.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.565 1.166 . . . . 0.0 109.356 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.4 t -71.99 -57.49 4.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.02 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 54.94 76.12 0.21 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.1 t -91.92 150.44 21.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.422 0.719 . . . . 0.0 110.023 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.1 71.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 108.224 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.49 167.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.5 p -56.66 154.69 8.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.475 ' CB ' ' HD3' ' A' ' 65' ' ' PRO . 0.1 OUTLIER 171.45 -56.31 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.28 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.475 ' HD3' ' CB ' ' A' ' 64' ' ' CYS . 18.4 Cg_endo -74.98 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.04 -156.38 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.69 96.53 0.44 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 176.81 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 0.779 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.3 -179.17 7.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.2 p -88.94 159.97 17.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.322 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 71' ' ' LEU . 4.6 mm? -54.79 160.88 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.93 90.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.445 1.091 . . . . 0.0 110.271 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -60.06 139.73 57.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.17 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ILE . 15.0 m0 -104.02 171.71 7.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -123.81 148.74 46.44 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.439 ' HA ' HD22 ' A' ' 11' ' ' LEU . . . -155.78 176.54 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.728 HD11 ' O ' ' A' ' 8' ' ' ARG . 20.0 mt -94.23 163.32 13.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 tpt85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.228 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.51 0.195 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.56 176.26 6.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.617 ' HB2' HD12 ' A' ' 5' ' ' ILE . 10.4 p -123.65 157.64 33.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 109.947 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.445 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -73.93 -37.66 64.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.617 HD12 ' HB2' ' A' ' 3' ' ' SER . 2.1 mp -52.45 -36.01 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.775 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.4 mt-30 -58.63 -53.1 62.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.843 HG22 ' CG2' ' A' ' 22' ' ' ILE . 53.0 t -66.79 -48.19 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.421 ' O ' HD11 ' A' ' 77' ' ' LEU . 96.2 mtt180 -53.41 -46.75 69.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.71 -50.95 70.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.897 ' HG ' HG21 ' A' ' 25' ' ' THR . 4.2 mm? -58.79 -48.73 80.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 11' ' ' LEU . 9.2 mt -55.41 -27.62 48.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.497 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.51 -59.11 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.419 ' HA ' HD13 ' A' ' 13' ' ' LEU . 4.0 mm? -54.34 -58.29 7.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.224 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -82.86 7.69 14.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.586 1.179 . . . . 0.0 110.352 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 51.07 -140.55 22.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.56 ' HB3' ' HB2' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -72.58 121.56 19.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 110.273 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.4 mmm -148.92 175.46 11.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.607 ' OE1' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -81.95 159.28 23.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.886 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -67.9 -40.24 83.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.607 ' HB3' ' OE1' ' A' ' 18' ' ' GLU . . . -50.46 -39.65 48.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -41.68 77.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.112 . . . . 0.0 110.347 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.886 HD12 ' HA ' ' A' ' 19' ' ' ALA . 19.2 mt -60.07 -47.67 90.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 28' ' ' THR . 43.3 p -60.01 -39.84 87.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.957 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -44.59 95.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.897 HG21 ' HG ' ' A' ' 10' ' ' LEU . 4.4 m -47.88 -46.24 31.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 110.408 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.492 HD23 ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -108.56 22.57 15.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER 37.91 32.43 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.463 HG21 HD11 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -80.01 163.06 59.74 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.337 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 134.98 18.49 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.441 1.759 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.487 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -44.01 -52.0 16.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -75.09 53.93 3.53 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.09 -47.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.463 HD11 HG21 ' A' ' 28' ' ' THR . 19.3 mm -74.3 -35.51 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -53.94 -36.86 63.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.84 -47.06 82.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -64.09 -49.27 72.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.409 HD22 ' CG ' ' A' ' 75' ' ' TRP . 21.7 mt -54.13 -38.26 65.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -47.57 79.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -57.86 -49.23 77.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.445 HD11 ' CD2' ' A' ' 4' ' ' LEU . 56.6 mt -56.96 -46.91 81.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.73 -51.7 68.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.0 t -54.01 -48.87 70.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.41 1.069 . . . . 0.0 109.941 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 mtp -66.33 -42.36 88.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.26 45.12 1.38 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.483 1.114 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -99.86 -63.06 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 0.81 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -91.11 175.32 6.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.565 1.165 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.35 155.71 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.423 1.077 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.564 ' HD2' ' CH2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -85.83 139.13 31.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.461 HG21 ' HD3' ' A' ' 16' ' ' ARG . 21.5 mm -117.65 152.01 19.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -117.97 152.5 35.35 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -103.62 168.3 9.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.37 124.7 79.36 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.157 . . . . 0.0 110.347 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.5 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.431 1.753 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.45 163.05 27.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.4 72.6 0.09 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 32.0 p -140.64 158.08 44.51 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.39 114.41 21.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.4 m -113.47 144.7 42.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.65 88.23 0.07 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.5 p -154.2 163.8 39.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 109.913 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.0 t -106.86 97.89 7.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.551 1.157 . . . . 0.0 108.302 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.51 111.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.103 . . . . 0.0 109.391 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 m 177.76 -56.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -44.47 143.75 1.95 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 108.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.509 1.794 . . . . 0.0 111.04 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 67' ' ' GLY . 4.9 pm0 -123.56 -149.61 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.358 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.401 ' N ' ' CG ' ' A' ' 66' ' ' GLU . . . 110.2 123.35 4.56 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.383 1.052 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 112.97 24.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 0.744 . . . . 0.0 109.353 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -174.98 138.08 0.44 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 29.1 p -81.81 157.18 24.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 108.263 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -52.16 160.89 0.69 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.22 91.65 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.07 143.91 54.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' ILE . 15.9 m0 -105.1 171.37 7.35 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.564 ' CH2' ' HD2' ' A' ' 48' ' ' ARG . 95.6 m95 -124.59 147.78 48.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 108.002 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.56 ' HB2' ' HB3' ' A' ' 16' ' ' ARG . . . -156.03 169.33 24.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.497 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 22.0 mt -86.06 156.39 20.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mtt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.463 0.173 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.95 142.75 2.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 p -179.85 168.28 1.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.064 . . . . 0.0 110.049 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.501 ' CD2' HD11 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -63.05 -36.72 84.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.435 ' N ' HD13 ' A' ' 5' ' ' ILE . 5.2 mm -65.41 -34.06 67.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.354 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.13 -53.76 50.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.98 HG23 HG21 ' A' ' 22' ' ' ILE . 5.1 p -64.86 -37.39 80.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.528 ' O ' HD11 ' A' ' 77' ' ' LEU . 3.5 mtt180 -67.16 -52.95 35.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -55.89 -49.24 73.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.23 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.808 ' HG ' HG21 ' A' ' 25' ' ' THR . 1.6 mm? -60.91 -48.08 83.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.528 HD22 ' HA ' ' A' ' 76' ' ' ALA . 10.0 mt -54.24 -29.51 46.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.827 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.82 -55.84 3.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.3 mt -55.58 -60.58 3.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.543 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -78.02 -7.44 56.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.325 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.492 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 70.29 -155.13 52.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.463 1.102 . . . . 0.0 111.058 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.47 138.56 57.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 0.792 . . . . 0.0 110.272 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 45.0 tpp -177.17 158.35 1.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 111.042 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.552 ' HB3' ' CD1' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -69.45 153.58 43.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.252 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.741 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -65.64 -38.79 90.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.405 ' HB3' ' HG3' ' A' ' 18' ' ' GLU . . . -45.7 -37.69 6.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -50.82 12.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.379 1.049 . . . . 0.0 110.281 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.98 HG21 HG23 ' A' ' 7' ' ' VAL . 5.7 mt -55.72 -38.0 49.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.507 ' HB2' HG22 ' A' ' 28' ' ' THR . 81.2 p -62.23 -49.63 74.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.95 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -44.57 80.12 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.808 HG21 ' HG ' ' A' ' 10' ' ' LEU . 5.8 m -44.83 -45.85 10.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.486 HD11 HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -104.4 30.99 4.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 109.263 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' LEU . 19.2 t30 39.11 30.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.552 HG21 HG12 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -86.74 151.27 52.34 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.428 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.485 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.1 Cg_endo -74.95 133.15 16.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.543 1.812 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.483 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -38.43 -52.57 3.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -74.99 54.14 3.55 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.524 1.802 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.477 ' HB3' HG23 ' A' ' 28' ' ' THR . 0.0 OUTLIER -145.31 -46.32 0.22 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.173 . . . . 0.0 110.968 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.552 HG12 HG21 ' A' ' 28' ' ' THR . 22.2 mm -76.49 -38.48 31.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.357 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -52.19 -38.01 56.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.8 91.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.363 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -48.96 68.76 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 26.2 mt -56.22 -36.43 68.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.34 -37.12 84.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.24 -45.66 62.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.501 HD11 ' CD2' ' A' ' 4' ' ' LEU . 20.6 mt -60.59 -41.75 95.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.59 -50.75 71.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -54.04 -52.51 60.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.1 mtt -59.93 -45.89 91.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.47 45.58 2.12 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -98.7 -49.37 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -91.83 175.92 6.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.8 m -131.83 153.7 39.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -86.36 139.14 31.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.8 mm -117.64 151.91 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -110.65 152.15 26.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.94 169.72 10.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.356 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.5 129.25 4.88 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.258 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -162.44 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -121.59 164.91 16.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.127 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.77 -78.74 1.39 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 85.7 m 63.23 124.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.38 172.65 12.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.382 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.65 163.76 1.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 110.043 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -148.79 90.39 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 53.35 81.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.751 . . . . 0.0 110.017 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.27 153.39 4.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 108.299 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.27 107.73 8.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.1 t -159.29 144.57 15.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.381 1.051 . . . . 0.0 110.031 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 2.7 m -136.28 68.7 62.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 108.275 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.037 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 42.77 92.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -103.21 78.96 0.31 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -104.2 177.61 4.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -46.75 165.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.3 m -88.42 152.53 21.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 108.275 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.99 161.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.85 89.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.15 142.22 57.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.368 1.042 . . . . 0.0 110.219 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.552 ' CD1' ' HB3' ' A' ' 18' ' ' GLU . 15.9 m0 -102.87 170.98 7.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 107.982 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -124.64 148.66 47.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 108.007 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.629 ' O ' ' HB1' ' A' ' 46' ' ' ALA . . . -156.16 178.58 10.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.827 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 9.5 mt -98.06 155.64 17.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.487 0.184 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.695 ' HB1' HD13 ' A' ' 26' ' ' LEU . . . -170.13 -172.28 1.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.563 ' HB2' HD12 ' A' ' 5' ' ' ILE . 28.6 p -160.68 166.55 28.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.085 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.813 HD21 HD21 ' A' ' 40' ' ' LEU . 5.2 tp -60.11 -41.77 93.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.371 1.044 . . . . 0.0 109.276 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.563 HD12 ' HB2' ' A' ' 3' ' ' SER . 2.5 mp -47.49 -41.92 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.437 ' NE2' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -58.57 -46.73 86.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.848 HG22 ' CG2' ' A' ' 22' ' ' ILE . 99.5 t -72.58 -48.2 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.448 HH21 ' CD2' ' A' ' 40' ' ' LEU . 93.2 mtt180 -50.82 -36.01 35.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -75.08 -49.26 20.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.503 ' HG ' HG21 ' A' ' 25' ' ' THR . 1.5 mm? -59.37 -51.3 70.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.041 HD21 HD11 ' A' ' 22' ' ' ILE . 12.2 mt -54.22 -25.04 20.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.51 ' N ' HD11 ' A' ' 77' ' ' LEU . . . -86.85 -59.48 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.47 -60.12 4.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' LEU . 6.0 mpt_? -71.41 -14.65 62.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.58 -154.84 53.37 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.54 ' CB ' ' HB2' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -64.12 120.72 12.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 0.737 . . . . 0.0 110.266 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.7 mmt -155.98 175.47 13.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.81 151.82 39.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.67 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -67.94 -40.01 83.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.74 -38.63 4.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.588 1.18 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -68.41 -47.53 67.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.215 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.041 HD11 HD21 ' A' ' 11' ' ' LEU . 22.4 mt -58.06 -44.67 87.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 28' ' ' THR . 51.3 p -57.39 -43.47 83.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 109.976 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -60.88 -44.88 96.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.567 ' HB ' HD23 ' A' ' 26' ' ' LEU . 95.5 m -44.78 -47.6 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.695 HD13 ' HB1' ' A' ' 2' ' ' ALA . 0.1 OUTLIER -105.02 24.96 11.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER 37.94 31.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -84.38 162.49 51.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.35 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.46 21.75 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.498 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -46.08 -51.63 31.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.2 Cg_endo -74.98 53.01 3.2 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.16 -44.45 0.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.964 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.51 HD12 HG21 ' A' ' 7' ' ' VAL . 24.2 mm -77.38 -36.9 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -55.03 -42.18 72.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.361 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.15 -46.87 84.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -47.18 77.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.424 1.078 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.424 ' CD1' HG22 ' A' ' 33' ' ' ILE . 21.5 mt -56.58 -37.66 70.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -42.9 98.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.23 -51.03 65.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.813 HD21 HD21 ' A' ' 4' ' ' LEU . 36.6 mt -56.83 -45.04 82.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.91 -50.68 70.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.1 t -54.04 -48.56 70.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.7 mtt -61.2 -54.87 38.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.06 38.04 0.62 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -106.22 -36.64 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.479 ' C ' HG13 ' A' ' 47' ' ' VAL . . . -100.46 -179.46 4.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.236 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.479 HG13 ' C ' ' A' ' 46' ' ' ALA . 22.0 m -155.19 146.03 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -89.29 138.81 31.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.77 HD11 ' HB3' ' A' ' 76' ' ' ALA . 4.1 mp -120.17 152.17 22.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.607 1.192 . . . . 0.0 109.368 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -110.89 150.65 28.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.508 ' HG3' ' CE2' ' A' ' 74' ' ' TRP . 0.1 OUTLIER -112.11 170.12 8.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.08 120.89 3.73 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.546 1.814 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.62 163.16 7.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.592 1.183 . . . . 0.0 109.274 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.77 -160.02 0.92 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.1 m -98.18 120.38 38.49 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -108.88 172.61 6.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.251 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.02 163.9 26.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.996 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.16 -155.14 30.73 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.603 1.189 . . . . 0.0 111.019 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 62' ' ' LYS . 0.3 OUTLIER 68.44 162.97 0.21 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.458 0.74 . . . . 0.0 110.011 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 78.7 m 67.63 -77.29 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.485 1.115 . . . . 0.0 108.317 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 60' ' ' SER . 9.6 ttpt 81.04 169.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.223 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.5 t 66.73 123.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.988 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.73 157.18 34.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 108.36 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.27 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.89 117.55 8.65 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 110.368 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.95 -67.31 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -58.98 172.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.241 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -98.29 167.88 10.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 95.2 m -65.18 151.92 44.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 108.298 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -50.63 162.91 0.21 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.88 88.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.8 138.83 58.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.508 ' CE2' ' HG3' ' A' ' 51' ' ' GLU . 27.5 m0 -93.89 168.86 10.7 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -122.97 145.03 48.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 107.982 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.77 ' HB3' HD11 ' A' ' 49' ' ' ILE . . . -156.29 178.95 9.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.145 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.51 HD11 ' N ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -89.89 152.04 21.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.453 ' HA ' HG11 ' A' ' 47' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.289 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.527 0.203 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.84 169.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 p -178.3 162.21 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.006 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.472 ' CD1' HD11 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -67.18 -38.52 85.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.5 mm -63.56 -33.91 64.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.45 -53.41 55.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.02 HG23 HG21 ' A' ' 22' ' ' ILE . 5.6 p -67.78 -36.41 75.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.061 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.538 ' O ' HD11 ' A' ' 77' ' ' LEU . 9.6 mtp180 -67.1 -50.39 61.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -55.95 -49.32 73.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.772 ' HG ' HG21 ' A' ' 25' ' ' THR . 4.0 mm? -62.08 -47.78 83.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.753 HD11 HD21 ' A' ' 37' ' ' LEU . 12.0 mt -58.59 -25.78 62.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.796 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -86.73 -59.17 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.48 -59.41 5.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.401 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 10.1 mmm-85 -78.99 1.22 24.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.212 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 58.97 -142.59 46.27 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.469 1.106 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.538 ' HB3' ' HB2' ' A' ' 76' ' ' ALA . 3.5 ptt180 -66.65 131.23 45.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.583 0.813 . . . . 0.0 110.23 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.89 152.61 5.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 6.1 tp10 -68.07 160.01 29.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.811 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -68.41 -39.08 81.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.83 -38.13 3.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -47.23 20.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.02 HG21 HG23 ' A' ' 7' ' ' VAL . 8.6 mt -58.05 -44.99 88.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.37 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.421 ' HA ' HG22 ' A' ' 28' ' ' THR . 97.5 p -56.48 -46.47 80.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 109.974 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -58.1 -45.55 87.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.772 HG21 ' HG ' ' A' ' 10' ' ' LEU . 87.6 m -45.97 -47.43 16.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.446 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.565 HD11 HD11 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -103.49 24.43 11.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 26' ' ' LEU . 51.0 t-20 37.92 33.65 0.05 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.421 HG22 ' HA ' ' A' ' 23' ' ' SER . 0.5 OUTLIER -87.35 162.68 42.18 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.092 . . . . 0.0 110.441 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD2' ' OG1' ' A' ' 28' ' ' THR . 18.6 Cg_endo -74.97 135.88 19.72 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.506 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -46.28 -50.83 37.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.361 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.3 Cg_endo -75.06 53.36 3.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.1 ttp -145.86 -44.74 0.21 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.565 HD11 HD11 ' A' ' 26' ' ' LEU . 25.2 mm -77.41 -35.94 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -55.72 -40.94 73.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.38 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.39 -46.2 87.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.455 ' CE ' HD22 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -62.82 -51.53 66.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.753 HD21 HD11 ' A' ' 11' ' ' LEU . 20.1 mt -53.84 -39.38 65.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -30.97 70.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -53.18 18.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 4' ' ' LEU . 15.7 mt -54.54 -42.39 70.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -57.97 -51.27 70.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 t -53.9 -47.32 71.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.2 mtt -67.54 -43.35 80.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.53 45.44 1.32 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.561 1.163 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -100.53 -55.62 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.741 . . . . 0.0 109.235 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.92 175.91 6.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.0 m -132.01 158.13 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.354 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.688 HH21 ' CD ' ' A' ' 73' ' ' GLU . 2.3 ttt180 -91.93 135.83 33.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.733 HD11 ' HB3' ' A' ' 76' ' ' ALA . 3.9 mp -118.82 151.89 21.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -110.66 152.38 26.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.597 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 0.3 OUTLIER -115.01 171.89 7.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 51' ' ' GLU . 1.4 mt-10 -38.28 98.85 0.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.524 1.802 . . . . 0.0 111.03 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.3 t70 64.92 163.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.99 -61.3 0.01 OUTLIER Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.448 1.093 . . . . 0.0 110.988 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 19.5 p -75.11 162.37 28.58 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.38 -63.64 1.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.3 p -170.39 170.19 7.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.954 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -137.01 101.91 0.37 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.48 1.113 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.5 m -120.18 170.29 9.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 0.772 . . . . 0.0 109.985 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 67.93 164.55 0.22 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 108.319 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.84 157.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.76 121.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.024 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -114.3 156.82 43.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 108.309 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.477 1.777 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -135.07 -166.25 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -176.68 144.02 6.67 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.421 1.075 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -165.57 163.11 19.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.597 0.822 . . . . 0.0 109.337 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 63.21 123.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.6 m -87.34 150.27 23.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 108.238 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 71' ' ' LEU . 4.6 mm? -51.5 161.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.59 90.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.688 ' CD ' HH21 ' A' ' 48' ' ' ARG . 4.2 mp0 -59.95 137.74 58.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.597 ' CZ2' ' CD ' ' A' ' 51' ' ' GLU . 31.0 m0 -91.77 169.53 10.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 108.033 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.4 ' CZ2' ' HD2' ' A' ' 48' ' ' ARG . 97.2 m95 -125.6 148.62 48.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 108.01 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.733 ' HB3' HD11 ' A' ' 49' ' ' ILE . . . -155.05 160.25 40.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.796 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 30.6 mt -76.06 158.55 31.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.09 . . . . 0.0 109.239 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.47 0.176 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.41 ' HB1' HD13 ' A' ' 26' ' ' LEU . . . -88.97 -168.8 2.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 p -158.97 164.7 35.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.996 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 36' ' ' MET . 1.5 mt -55.7 -35.99 66.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.509 ' N ' HD13 ' A' ' 5' ' ' ILE . 4.3 mm -56.21 -41.98 71.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.868 ' NE2' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -58.09 -45.05 87.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.914 HG22 ' CG2' ' A' ' 22' ' ' ILE . 60.1 t -74.26 -45.82 46.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.581 1.176 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.5 ' HA ' HD21 ' A' ' 77' ' ' LEU . 3.2 mtt180 -59.51 -40.17 86.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -66.89 -46.56 74.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.96 ' HG ' HG21 ' A' ' 25' ' ' THR . 2.2 mm? -65.82 -51.37 59.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.751 HD21 HD11 ' A' ' 22' ' ' ILE . 9.3 mt -54.13 -28.38 39.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.442 ' HB2' HD13 ' A' ' 77' ' ' LEU . . . -86.77 -58.83 2.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 13' ' ' LEU . 41.8 mt -55.01 -61.06 2.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.542 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -76.33 -7.33 54.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.481 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 69.8 -154.52 52.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.417 ' CB ' ' HB2' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -59.97 139.92 57.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -177.21 151.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.872 ' OE1' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -61.43 158.87 13.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.35 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.811 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -67.73 -40.69 84.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.872 ' HB3' ' OE1' ' A' ' 18' ' ' GLU . . . -43.67 -38.06 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -52.1 15.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.226 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.914 ' CG2' HG22 ' A' ' 7' ' ' VAL . 6.2 mt -52.91 -46.61 52.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.45 ' HB2' HG22 ' A' ' 28' ' ' THR . 26.7 p -54.65 -46.62 74.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.046 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -57.79 -46.35 84.75 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.498 1.124 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.96 HG21 ' HG ' ' A' ' 10' ' ' LEU . 95.2 m -47.67 -34.79 8.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.868 HD22 ' NE2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -116.09 24.24 11.58 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.414 1.071 . . . . 0.0 109.355 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' LEU . 4.4 t-20 38.18 31.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.483 HG21 HD11 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -86.65 159.86 51.61 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.98 135.37 19.02 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.533 1.807 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -44.33 -51.54 19.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.4 Cg_endo -74.98 53.29 3.28 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.543 1.812 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -145.26 -49.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.483 HD11 HG21 ' A' ' 28' ' ' THR . 48.9 mm -72.88 -38.4 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -51.85 -37.67 52.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.12 -42.0 72.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 109.365 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.548 ' HB3' HD21 ' A' ' 4' ' ' LEU . 8.0 mtt -73.6 -42.61 61.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.554 ' CD1' ' HB2' ' A' ' 19' ' ' ALA . 21.7 mt -60.57 -32.64 71.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -40.67 74.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.264 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -64.88 -48.43 74.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.1 mt -57.6 -41.1 80.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.09 -55.24 30.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.2 t -54.15 -48.44 70.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.3 mtm -66.34 -47.98 71.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.04 43.88 1.58 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -101.16 -42.81 6.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.15 178.5 5.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.1 m -136.63 155.71 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.7 139.12 30.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.387 1.054 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 74' ' ' TRP . 6.2 mm -116.16 151.89 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -112.83 151.83 29.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.609 1.193 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.54 171.48 8.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -39.62 146.04 0.4 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -137.35 165.91 25.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -117.49 144.39 18.26 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.4 m -65.41 163.02 16.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -90.52 -62.95 1.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.62 87.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.86 -73.7 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.72 138.88 54.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 0.788 . . . . 0.0 109.93 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 60.7 m -91.71 -62.01 1.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 108.336 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.08 135.91 15.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.02 96.9 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.043 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.89 96.53 0.16 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 108.304 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.528 1.804 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -124.37 -149.32 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 164.29 84.14 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.112 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -64.16 109.97 2.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 0.72 . . . . 0.0 109.347 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -176.45 129.37 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 84.5 m -88.61 150.26 23.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 108.289 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 71' ' ' LEU . 4.6 mm? -55.25 160.87 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.08 90.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.18 136.98 58.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' ILE . 17.7 m0 -102.48 169.01 8.94 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -121.24 149.05 43.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 107.995 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.417 ' HB2' ' CB ' ' A' ' 16' ' ' ARG . . . -155.45 178.18 10.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.5 HD21 ' HA ' ' A' ' 8' ' ' ARG . 1.5 mp -96.51 159.26 15.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.397 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.6 tpt85 . . . . . 0 C--N 1.323 -0.552 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.53 0.205 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.433 ' HB2' ' HB3' ' A' ' 26' ' ' LEU . . . -84.74 162.08 19.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 p -111.9 155.26 23.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.946 ' CD1' HD11 ' A' ' 40' ' ' LEU . 1.7 mm? -61.46 -38.15 86.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.4 mm -62.06 -37.18 77.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.569 ' NE2' ' CD2' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -58.92 -53.98 52.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.713 HG23 HG21 ' A' ' 22' ' ' ILE . 6.3 p -65.96 -36.77 78.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.529 ' O ' HD11 ' A' ' 77' ' ' LEU . 8.8 mtm180 -67.9 -36.09 79.61 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 110.355 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -75.08 -47.47 28.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.668 HD11 HG21 ' A' ' 25' ' ' THR . 2.0 mm? -57.35 -47.84 80.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.499 ' O ' ' CA ' ' A' ' 15' ' ' GLY . 9.9 mt -53.0 -33.0 49.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.686 ' HB2' ' CD1' ' A' ' 77' ' ' LEU . . . -84.28 -57.91 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.1 mt -51.5 -60.11 3.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.537 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 4.7 mpt_? -78.04 -8.45 58.21 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' ' 11' ' ' LEU . . . 68.64 -156.84 53.26 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' O ' ' SD ' ' A' ' 17' ' ' MET . 0.3 OUTLIER -63.0 118.43 7.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 0.74 . . . . 0.0 110.322 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.404 ' SD ' ' O ' ' A' ' 16' ' ' ARG . 25.0 mmt -155.55 175.26 14.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.524 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 0.3 OUTLIER -86.79 163.24 17.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 110.339 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.755 ' HA ' HD12 ' A' ' 22' ' ' ILE . . . -67.93 -37.71 81.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.66 -37.9 6.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.55 1.156 . . . . 0.0 109.361 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -46.47 40.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 110.255 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 19' ' ' ALA . 11.6 mt -59.71 -55.31 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.8 p -50.0 -35.87 26.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.057 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -49.03 67.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.668 HG21 HD11 ' A' ' 10' ' ' LEU . 98.5 m -62.57 -49.98 73.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.404 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.569 ' CD2' ' NE2' ' A' ' 6' ' ' GLN . 20.3 mt -67.12 -10.14 47.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.19 34.54 8.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.509 HG23 ' HB3' ' A' ' 32' ' ' MET . 0.4 OUTLIER -113.85 164.62 15.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.409 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.451 ' HD2' HG23 ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.01 135.2 18.74 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.966 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.489 ' N ' ' CD ' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -39.0 -52.47 3.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 30' ' ' GLN . 18.4 Cg_endo -74.99 53.87 3.46 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.522 1.801 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.509 ' HB3' HG23 ' A' ' 28' ' ' THR . 1.6 tpt -144.25 -49.29 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.558 HD11 ' CD1' ' A' ' 26' ' ' LEU . 12.0 mm -73.65 -30.28 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -54.69 -32.32 59.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 109.256 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.17 -46.33 71.03 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.593 1.183 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -49.47 72.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.465 ' CD1' HG22 ' A' ' 33' ' ' ILE . 17.1 mt -53.66 -36.53 62.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -41.63 96.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -63.91 -53.08 56.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.946 HD11 ' CD1' ' A' ' 4' ' ' LEU . 50.4 mt -55.82 -42.16 75.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -58.03 -52.59 64.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -53.87 -46.54 71.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 mtt -62.77 -48.68 78.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.04 47.87 0.98 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.513 1.133 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -102.5 -59.83 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 0.795 . . . . 0.0 109.349 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.637 ' HB1' ' O ' ' A' ' 76' ' ' ALA . . . -90.98 -179.6 5.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.58 HG11 ' HD2' ' A' ' 78' ' ' ARG . 33.6 m -135.25 157.42 40.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.497 ' CD ' ' CH2' ' A' ' 75' ' ' TRP . 0.0 OUTLIER -91.48 139.38 30.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 37.5 mm -117.08 151.63 18.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -113.5 151.49 31.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.246 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.25 167.92 10.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -42.33 108.14 0.59 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -156.37 150.39 25.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 138.18 131.98 2.95 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.79 158.05 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -53.57 167.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.1 p -157.75 168.67 26.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.033 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.23 122.11 3.94 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.576 1.173 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.7 t 64.26 139.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.979 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.2 t -85.21 154.28 22.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 108.278 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.85 -63.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.226 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.8 m -68.38 164.65 20.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.999 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -110.83 149.98 41.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 108.295 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.778 . . . . 0.0 110.993 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -126.27 -150.88 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.44 -145.94 11.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -106.82 126.45 52.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 0.777 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -178.06 139.54 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 71.2 m -96.65 149.69 21.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 108.285 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -56.92 160.98 3.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.05 90.09 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -61.2 137.59 58.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.524 ' CD1' ' HB2' ' A' ' 18' ' ' GLU . 15.0 m0 -104.23 170.27 8.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 108.016 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.497 ' CH2' ' CD ' ' A' ' 48' ' ' ARG . 96.4 m95 -123.67 148.11 46.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 107.965 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.637 ' O ' ' HB1' ' A' ' 46' ' ' ALA . . . -156.13 178.85 9.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.686 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 11.4 mt -99.37 156.77 16.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.58 ' HD2' HG11 ' A' ' 47' ' ' VAL . 8.4 tpt180 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.597 1.186 . . . . 0.0 110.305 -179.888 . . . . . . . . 1 1 . 1 stop_ save_